Chloroacetylglycylglycine
PubChem CID
259611
Structure
Molecular Formula
Synonyms
- Chloroacetyl-glycyl-glycine
- Chloroacetylglycylglycine
- 15474-96-1
- N-Chloroacetyl diglycine
- 2-[[2-[(2-chloroacetyl)amino]acetyl]amino]acetic acid
Molecular Weight
208.60 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
SVG Image
IUPAC Condensed
ClAc-Gly-Gly-OH
Sequence
GG
HELM
PEPTIDE1{[*C(=O)CNC(=O)CCl |$_R2;;;;;;;;$|].G}$$$$
IUPAC
N-(chloroacetyl)-glycyl-glycine
2-[[2-[(2-chloroacetyl)amino]acetyl]amino]acetic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C6H9ClN2O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3H2,(H,8,10)(H,9,11)(H,12,13)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
NCOXSGKCQMMTRX-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C(C(=O)NCC(=O)O)NC(=O)CCl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H9ClN2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Chloroacetyl-glycyl-glycine
- Chloroacetylglycylglycine
- 15474-96-1
- N-Chloroacetyl diglycine
- 2-[[2-[(2-chloroacetyl)amino]acetyl]amino]acetic acid
- Chloroacetyldiglycine
- (2-Chloroacetyl)glycylglycine
- NSC 89653
- Glycine, N-[N-(chloroacetyl)glycyl]-
- 2-(2-(2-Chloroacetamido)acetamido)acetic acid
- Glycine, N-(N-(chloroacetyl)glycyl)-
- MFCD00055928
- Chloroacetyl-Gly-Gly
- Chloracetylglycylglycin
- N-Chloroacetylglycylglycine
- N-Chloroacetyl glycylglycine
- CHEMBL504798
- SCHEMBL5519639
- DTXSID20293452
- NSC89653
- NSC-89653
- AKOS024337990
- BS-23498
- CS-0160127
- D89196
- ({[(chloroacetyl)amino]acetyl}amino)acetic acid
- (([(Chloroacetyl)amino]acetyl)amino)acetic acid #
- [2-(2-CHLOROACETAMIDO)ACETAMIDO]ACETIC ACID
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
208.60 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-0.9
Reference
Computed by XLogP3 3.0 (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
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
208.0250845 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
208.0250845 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
95.5 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
219
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)
NIST Number
233518
Library
Main library
Total Peaks
101
m/z Top Peak
30
m/z 2nd Highest
107
m/z 3rd Highest
72
Thumbnail
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
C0099
Lot Number
MAP01-CNQA
Copyright
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NCOXSGKCQMMTRX-UHFFFAOYSA-N
- 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/N-(2-Chloroacetyl)glycylglycinehttps://commonchemistry.cas.org/detail?cas_rn=15474-96-1
- ChemIDplusChloroacetylglycylglycinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0015474961ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseChloroacetylglycylglycinehttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=89653
- EPA DSSToxChloroacetylglycylglycinehttps://comptox.epa.gov/dashboard/DTXSID20293452CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Synthesis
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawN-Chloroacetylglycylglycinehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseN-[N-(chloroacetyl)glycyl]glycinehttps://spectrabase.com/spectrum/BNuZfbAVQiyN-(CHLOROACETYL)-GLYCYLGLYCINEhttps://spectrabase.com/spectrum/NYOtiBCIP1N-[N-(CHLOROACETYL)GLYCYL]GLYCINEhttps://spectrabase.com/spectrum/BTnmErUr2iNChloroacetylglycylglycinehttps://spectrabase.com/spectrum/48zmKLi8uvChloroacetylglycylglycinehttps://spectrabase.com/spectrum/6LtTqDnJmHr
- Springer Nature
- SpringerMaterialsChloracetyl-glycylglycinhttps://materials.springer.com/substanceprofile/docs/smsid_qgobrbiaopftmxnz
- WikidataChloroacetylglycylglycinehttps://www.wikidata.org/wiki/Q82032184
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388688285https://pubchem.ncbi.nlm.nih.gov/substance/388688285
CONTENTS