Molecule ID: 135563673

IUPAC Name: (2S)-2-(hexanoylamino)-2-hydroxyacetic acid

Description: The molecule is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of hexanoic acid (caproic acid) with the amino group of (2S)-hydroxyglycine. It derives from a hexanoic acid. It is a conjugate acid of a N-hexanoyl-(2S)-hydroxyglycinate.

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

SELFIES: [C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15NO4/c1-2-3-4-5-6(10)9-7(11)8(12)13/h7,11H,2-5H2,1H3,(H,9,10)(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 0.5