Molecule ID: 104625

IUPAC Name: (3S)-3-aminopropane-1,1,3-tricarboxylic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-glutamic acid in which one of the gamma-hydrogens is substituted by a carboxy group. It is a tricarboxylic acid and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a gamma-carboxy-L-glutamic acid zwitterion.

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

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

InChI: InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -3.7