Molecule ID: 865

IUPAC Name: 2,6-diaminoheptanedioic acid

Description: The molecule is the amino dicarboxylic acid that is heptanedioic acid with amino substituents at C-2 and C-6. It has a role as an Escherichia coli metabolite. It derives from a pimelic acid. It is a conjugate acid of a 2,6-diaminopimelate(2-).

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

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

InChI: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -5.9