Molecule ID: 101122

IUPAC Name: 2-aminoheptanedioic acid

Description: The molecule is an amino dicarboxylic acid that is heptanedioic acid in which a hydrogen at position 2 is replaced by an amino group. It is a component of the cell wall peptidoglycan of bacteria. It has a role as a bacterial metabolite. It is an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid.

SMILES: NC(CCCCC(=O)O)C(=O)O

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

InChI: InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -2.6