Molecule ID: 5460662

IUPAC Name: 2,6-diaminoheptanedioate

Description: The molecule is a dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid. It has a role as an Escherichia coli metabolite. It derives from a pimelate(2-). It is a conjugate base of a 2,6-diaminopimelic acid.

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-1][C][=Branch1][C][=O][O-1]

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)/p-2

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -4.6