Molecule ID: 469

IUPAC Name: 2-aminohexanedioic acid

Description: The molecule is an alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. It has a role as a mammalian metabolite and a Caenorhabditis elegans metabolite. It is an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a 2-aminoadipate(2-).

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

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

InChI: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -3.1