Molecule ID: 54675871

IUPAC Name: 2-amino-3-carboxyphenolate

Description: The molecule is a hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid. It has a role as a human metabolite, a mouse metabolite and a Saccharomyces cerevisiae metabolite. It is a hydroxybenzoate, an aminobenzoate and an aromatic amino-acid anion. It derives from an anthranilate. It is a conjugate base of a 3-hydroxyanthranilic acid. It is a tautomer of a 2,3-dihydro-3-oxoanthranilate.

SMILES: Nc1c([O-])cccc1C(=O)O

SELFIES: [N][C][=C][Branch1][C][O-1][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 86.4 Ų
- LogP: 1.6