Molecule ID: 12621609

IUPAC Name: 2-amino-3-(4-hydroxy-1,3-benzothiazol-6-yl)propanoic acid

Description: The molecule is a member of the class of benzothiazoles bearing hydroxy and 2-amino-2-carboxyethyl substituents at positions 4 and 6 respectively. It has a role as a human metabolite. It is a member of benzothiazoles, a member of phenols and a non-proteinogenic alpha-amino acid.

SMILES: NC(Cc1cc(O)c2ncsc2c1)C(=O)O

SELFIES: [N][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][O][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H10N2O3S/c11-6(10(14)15)1-5-2-7(13)9-8(3-5)16-4-12-9/h2-4,6,13H,1,11H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: -1.3