Molecule ID: 440086

IUPAC Name: 6-acetamido-3-oxohexanoic acid

Description: The molecule is a 3-oxo monocarboxylic acid that is 3-oxohexanoic acid substituted at position 6 by an acetamido group. It is a 3-oxo monocarboxylic acid and a member of acetamides. It derives from a 3-oxohexanoic acid. It is a conjugate acid of a 6-acetamido-3-oxohexanoate.

SMILES: CC(O)=NCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)

Molecular Properties:
- Polar Surface Area: 83.5 Ų
- LogP: -0.8