Molecule ID: 6971029

IUPAC Name: (2S)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate

Description: The molecule is zwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a L-kynurenine.

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: 111.0 Ų
- LogP: -1.4