Molecule ID: 440714

IUPAC Name: 2-amino-3-oxohexanedioic acid

Description: The molecule is a 1,6-dicarboxylic acid compound having an amino substituent at the 2-position and an oxo substituent at the 3-position. It has a role as a human metabolite and a mouse metabolite. It is an amino dicarboxylic acid and an oxo dicarboxylic acid. It derives from an adipic acid.

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

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

InChI: InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -4.0