Molecule ID: 161166

IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid

Description: The molecule is a kynurenine that has L configuration. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a non-proteinogenic L-alpha-amino acid and a kynurenine. It is a conjugate acid of a L-kynureninate. It is an enantiomer of a D-kynurenine. It is a tautomer of a L-kynurenine zwitterion.

SMILES: Nc1ccccc1C(=O)C[C@H](N)C(=O)O

SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -2.2