A1EDY

2-(4-aminophenyl)ethanoic acid

Created:	2024-10-17
Last modified:	2025-08-27

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1 entries where A1EDY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of A1EDY

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Chemical Component Summary
Name	2-(4-aminophenyl)ethanoic acid
Synonyms	4-Aminophenylacetic acid
Systematic Name (OpenEye OEToolkits)	2-(4-aminophenyl)ethanoic acid
Formula	C₈ H₉ N O₂
Molecular Weight	151.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(CC(O)=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC(=O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ccc(CC(O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC(=O)O)N
InChI	InChI	1.06	InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey	InChI	1.06	CSEWAUGPAQPMDC-UHFFFAOYSA-N

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.