Molecule ID: 440745

IUPAC Name: 2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

Description: The molecule is a hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5. It has a role as a human metabolite.

SMILES: Nc1ccc(O)cc1C(=O)CC(N)C(=O)O

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

InChI: InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -2.5