Molecule ID: 192934

IUPAC Name: 3-(4-aminophenyl)-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is 3-(4-aminophenyl)propanoic acid which is substituted by an oxo group at position 2. It is a 2-oxo monocarboxylic acid and a substituted aniline. It derives from a pyruvic acid. It is a conjugate acid of a 3-(4-aminophenyl)pyruvate.

SMILES: Nc1ccc(CC(=O)C(=O)O)cc1

SELFIES: [N][C][=C][C][=C][Branch1][O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=C][Ring1][N]

InChI: InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: 0.6