Molecule ID: 53262328

IUPAC Name: (2S)-4-(2-amino-5-hydroxyphenyl)-2-azaniumyl-4-oxobutanoate

Description: The molecule is tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3. It is a tautomer of a 5-hydroxy-L-kynurenine.

SMILES: Nc1ccc(O)cc1C(=O)C[C@H](N)C(=O)O

SELFIES: [N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C@H1][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)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: -1.9