Molecule ID: 446355

IUPAC Name: 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is alanine in which the alpha-hydrogen is replaced by a 4-carboxyphenyl group (the S-enantiomer). It is a non-selective group I/group II metabotropic glutamate receptor (mGluR) antagonist. It has a role as a metabotropic glutamate receptor antagonist.

SMILES: C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1

SELFIES: [C][C@@][Branch1][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -2.0