Molecule ID: 1549100

IUPAC Name: (2S,6S)-2,6-bis(azaniumyl)heptanedioate

Description: The molecule is a zwitterion that is derived from LL-2,6-diaminopimelic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups. It has a role as an Escherichia coli metabolite. It is a tautomer of a LL-2,6-diaminopimelic acid.

SMILES: N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O

SELFIES: [N][C@@H1][Branch1][=N][C][C][C][C@H1][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)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -4.6