3[N-Morpholino]propane sulfonic acid
PubChem CID
70807
Structure
Molecular Formula
Synonyms
- MOPS
- 1132-61-2
- 3-Morpholinopropanesulfonic acid
- 4-Morpholinepropanesulfonic acid
- 3-(N-Morpholino)propanesulfonic acid
Molecular Weight
209.27 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Description
3-(N-morpholino)propanesulfonic acid is a Good's buffer substance, pKa = 7.2 at 20 ℃. It is a member of morpholines, a MOPS and an organosulfonic acid. It is a conjugate acid of a 3-(N-morpholino)propanesulfonate. It is a tautomer of a 3-(N-morpholiniumyl)propanesulfonate.
3[N-Morpholino]propane sulfonic acid has been reported in Citrus reticulata and Citrus deliciosa with data available.
See also: 3-(N-morpholino)propanesulfonate (annotation moved to).
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
3-morpholin-4-ylpropane-1-sulfonic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DVLFYONBTKHTER-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1COCCN1CCCS(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C7H15NO4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- MOPS
- morpholine propanesulphonic acid
- morpholinopropane sulfonic acid
- MOPS
- 1132-61-2
- 3-Morpholinopropanesulfonic acid
- 4-Morpholinepropanesulfonic acid
- 3-(N-Morpholino)propanesulfonic acid
- 3-Morpholinopropane-1-sulfonic acid
- 3[N-MORPHOLINO]PROPANE SULFONIC ACID
- Morpholinopropane sulfonic acid
- 3-morpholin-4-ylpropane-1-sulfonic acid
- 3-(morpholin-4-yl)propane-1-sulfonic acid
- MFCD00006183
- 4-Morpholinepropane sulfonic acid
- 3-N-Morpholinopropanesulfonic acid
- DTXSID4044371
- CHEBI:44115
- 273BP63NV3
- Morpholinopropanesulfonic acid; WAS 15
- 3-(N-Morpholino)propane Sulfonic Acid (MOPS)
- 3-(N-Morpholino)propane Sulfonic Acid; MOPS
- 4-Morpholinopropanesulphonic acid
- EINECS 214-478-5
- 3-(4-Morpholino)propanesulfonic acid
- 3-(4-Morpholino)propane sulfonic acid
- BRN 1106776
- UNII-273BP63NV3
- MOPS solution
- 2axi
- MOPS, Free Acid
- MOPS, biochemical grade
- bmse000788
- bmse000893
- MOPS [MI]
- SCHEMBL15732
- MOPS, p.a., 99%
- SCHEMBL6449440
- 4-Morpholinopropanesulfonic acid
- CHEMBL1234443
- DTXCID2024371
- MOPS, Vetec(TM) reagent grade
- HMS3604E12
- MOPS, >=99.5% (titration)
- BCP05573
- HY-D0859
- Tox21_302146
- BBL010801
- MFCD11100867
- STK606781
- AKOS005542400
- MOPS, >=99.0%
- DB03434
- PB39633
- 3-[n-morpholino] propane sulfonic acid
- MOPS, BioUltra, >=99.5% (T)
- NCGC00255922-01
- AS-13603
- BP-20546
- DA-65609
- MOPS, BioXtra, >=99.5% (titration)
- SY010930
- CAS-1132-61-2
- 3-(4-Morpholinyl)-1-propanesulfonic acid #
- CS-0015169
- M0707
- MOPS, 3-(N-Morpholino)propanesulfonic acid
- NS00003745
- EN300-53406
- M-8500
- M02085
- P19612
- Q4030654
- 3-(morpholin-4-yl)propane-1-sulfonic acid (MOPS)
- MOPS, BioUltra, for molecular biology, >=99.5% (T)
- Z123738220
- MOPS, anhydrous, free-flowing, Redi-Dri(TM), >=99.5%
- MOPS, BioPerformance Certified, cell culture tested, >=99.5% (titration)
- 3-morpholinopropanesulfonic acid; 3-(n-morpholino)propanesulfonic acid; 4-morpholinepropanesulfonic acid; mops
- InChI=1/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
209.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-3.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
209.07217913 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
209.07217913 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
75.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
227
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
1D NMR Spectra
NIST Number
231736
Library
Main library
Total Peaks
96
m/z Top Peak
100
m/z 2nd Highest
42
m/z 3rd Highest
56
Thumbnail
NIST Number
1118792
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
210.0795
Total Peaks
29
m/z Top Peak
88.2
m/z 2nd Highest
123.1
m/z 3rd Highest
166.1
Thumbnail
Accession ID
Authors
Kevin S. Jewell; Björn Ehlig; Arne Wick
Instrument
TripleTOF 5600 SCIEX
Instrument Type
LC-ESI-QTOF
MS Level
MS2
Ionization Mode
NEGATIVE
Ionization
ESI
Collision Energy
80
Fragmentation Mode
CID
Column Name
Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
Retention Time
1.291 min
Precursor m/z
208.0649
Precursor Adduct
[M-H]-
Top 5 Peaks
79.957 999
License
dl-de/by-2-0
Accession ID
Authors
Kevin S. Jewell; Björn Ehlig; Arne Wick
Instrument
TripleTOF 5600 SCIEX
Instrument Type
LC-ESI-QTOF
MS Level
MS2
Ionization Mode
NEGATIVE
Ionization
ESI
Collision Energy
140
Fragmentation Mode
CID
Column Name
Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
Retention Time
1.291 min
Precursor m/z
208.0649
Precursor Adduct
[M-H]-
Top 5 Peaks
79.9565 999
63.9625 388
License
dl-de/by-2-0
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
3-(N-morpholino)propanesulfonate (annotation moved to)
EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DVLFYONBTKHTER-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_use3-(N-morpholino)propanesulfonic acidhttps://www.drugbank.ca/drugs/DB03434
- EPA DSSTox4-Morpholinepropanesulfonic acidhttps://comptox.epa.gov/dashboard/DTXSID4044371CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking3-(N-MORPHOLINO)PROPANESULFONIC ACIDhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/273BP63NV3
- ChEBI3-(N-morpholino)propanesulfonic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44115
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/3[N-Morpholino]propane sulfonic acidhttps://www.wikidata.org/wiki/Q4030654LOTUS Treehttps://lotus.naturalproducts.net/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA Chemical and Products Database (CPDat)4-Morpholinepropanesulfonic acidhttps://comptox.epa.gov/dashboard/DTXSID4044371#exposureEPA CPDat Classificationhttps://www.epa.gov/chemical-research/chemical-and-products-database-cpdat
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing3[N-Morpholino]propane sulfonic acidhttp://www.hmdb.ca/metabolites/HMDB0254880
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank Europe3-(N-Morpholino)propanesulfonic acidhttps://massbank.eu/MassBank/Result.jsp?inchikey=DVLFYONBTKHTER-UHFFFAOYSA-N
- Metabolomics Workbench3-(N-morpholino)propanesulfonic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52362
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law
- NMRShiftDB
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/4-morpholinepropanesulfonic acid | MopsNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- SpectraBase4-MORPHOLINEPROPANESULFONIC ACIDhttps://spectrabase.com/spectrum/KtOqNf8Y1dI3-MORPHOLINIOPROPANESULPHONATEhttps://spectrabase.com/spectrum/8aHHnTZnyu54-morpholinepropanesulfonic acidhttps://spectrabase.com/spectrum/GhAKdJ5jzhOMorpholinopropane sulfonic acidhttps://spectrabase.com/spectrum/IegiPtbv0mxMOPS (4-morpholinepropanesulfonic acid)https://spectrabase.com/spectrum/2hAXYPnrBYKMorpholino propane sulfonic acidhttps://spectrabase.com/spectrum/DjKXFWnmQwXMOPS (4-morpholinepropanesulfonic acid)https://spectrabase.com/spectrum/100zRRzZf9mMOPS (4-morpholinepropanesulfonic acid)https://spectrabase.com/spectrum/2kTGjQXr5IR
- Springer Nature
- The Cambridge Structural Database
- Wikidata3-(N-morpholino)propanesulfonic acidhttps://www.wikidata.org/wiki/Q4030654
- Wikipedia
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlmorpholinopropane sulfonic acidhttps://www.ncbi.nlm.nih.gov/mesh/67008550
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- EPA Chemicals under the TSCAEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403035111https://pubchem.ncbi.nlm.nih.gov/substance/403035111
CONTENTS