Molecule ID: 11811

IUPAC Name: (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

Description: The molecule is a 3-hydroxykynurenine. It has a role as a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a tautomer of a 3-hydroxy-L-kynurenine zwitterion.

SMILES: Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O

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

InChI: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1

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