Deanol pidolate
PubChem CID
71777631
Structure
Molecular Formula
Synonyms
- Deanol pidolate
- 23513-72-6
- UNII-V68I8147P0
- EINECS 245-706-1
- V68I8147P0
Molecular Weight
218.25 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2013-11-13
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
SVG Image
IUPAC Condensed
Me-Sar-ol.H-Pyr-OH
HELM
PEPTIDE1{[CN(C)CCO]}|PEPTIDE2{[Glp]}$$$$
IUPAC
N-methyl-sarcosinol compound with L-pyroglutamic acid
2-(dimethylamino)ethanol;(2S)-5-oxopyrrolidine-2-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C5H7NO3.C4H11NO/c7-4-2-1-3(6-4)5(8)9;1-5(2)3-4-6/h3H,1-2H2,(H,6,7)(H,8,9);6H,3-4H2,1-2H3/t3-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DAEHWWVKPWBXGD-DFWYDOINSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN(C)CCO.C1CC(=O)N[C@@H]1C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H18N2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Deanol pidolate
- 23513-72-6
- UNII-V68I8147P0
- EINECS 245-706-1
- V68I8147P0
- 5-Oxo-L-proline, compound with 2-(dimethylamino)ethanol (1:1)
- 2-(dimethylamino)ethanol;(2S)-5-oxopyrrolidine-2-carboxylic acid
- 5-Oxo-L-proline 2-(Dimethylamino)ethanol
- DEANOL PYROGLUTAMATE
- DEANOL PIDOLATE [WHO-DD]
- DTXSID60946233
- AKOS040751451
- NS00084569
- NS00093166
- V-0191
- Q27291585
- L-Proline, 5-oxo-, compd. with 2-(dimethylamino)ethanol (1:1)
- 5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--2-(dimethylamino)ethan-1-ol (1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
218.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
218.12665706 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
218.12665706 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
89.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
183
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
1
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- 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/L-Proline, 5-oxo-, compd. with 2-(dimethylamino)ethanol (1:1)https://commonchemistry.cas.org/detail?cas_rn=23513-72-6
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--2-(dimethylamino)ethan-1-ol (1/1)https://comptox.epa.gov/dashboard/DTXSID60946233CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice5-oxo-L-proline, compound with 2-(dimethylamino)ethanol (1:1)https://echa.europa.eu/substance-information/-/substanceinfo/100.041.536
- 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#linking
- Wikidatadeanol pidolatehttps://www.wikidata.org/wiki/Q27291585
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- NCBI
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