A1AV8

N-(prop-2-en-1-yl)glycine

Created:	2024-06-27
Last modified:	2024-10-30

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1 entries where A1AV8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of A1AV8

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Chemical Component Summary
Name	N-(prop-2-en-1-yl)glycine
Synonyms	N-allylglycine
Systematic Name (OpenEye OEToolkits)	2-(prop-2-enylamino)ethanoic acid
Formula	C₅ H₉ N O₂
Molecular Weight	115.13
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=CCNCC(=O)O
SMILES	CACTVS	3.385	OC(=O)CNCC=C
SMILES	OpenEye OEToolkits	2.0.7	C=CCNCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CNCC=C
Canonical SMILES	OpenEye OEToolkits	2.0.7	C=CCNCC(=O)O
InChI	InChI	1.06	InChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)
InChIKey	InChI	1.06	YVWGGGZYGSZDKW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76651, 36690796

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.