Molecule ID: 866

IUPAC Name: 2,6-diaminohexanoic acid

Description: The molecule is a diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid, a diamino acid and a polar amino acid. It contains a 4-aminobutyl group. It derives from a hexanoic acid. It is a conjugate base of a lysinium(1+). It is a conjugate acid of a lysinate.

SMILES: NCCCCC(N)C(=O)O

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

InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)

Molecular Properties:
- Polar Surface Area: 89.3 Ų
- LogP: -3.0