(4-Aminophenyl)acetic acid

AlkaPlorer ID: AK139790

Synonym: 4-Aminobenzeneacetic acid

IUPAC Name: 2-(4-aminophenyl)acetic acid

Structure

SMILES: NC1=CC=C(CC(=O)O)C=C1

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InChI: InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)

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InChIKey: CSEWAUGPAQPMDC-UHFFFAOYSA-N

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Reference

PubChem CID: 139067909

CAS: 1197-55-3

COCONUT: CNP0379454

Properties Information

Molecule Weight: 151.16500000000002

TPSA: 63.32000000000001

MolLogP: 0.8959000000000001

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None No relevant target pKa 3.6 None 10.1021/jm00212a009
None Unchecked Inhibition_index nan None 10.1021/jm00212a009

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004766 CC(=O)c1ccc(N)cc1>>Nc1ccc(CC(=O)O)cc1 MNXR131152
AKRT015652 N#CCc1ccc(N)cc1>>Nc1ccc(CC(=O)O)cc1 enzymemap_79672