Molecule ID: 135563672

IUPAC Name: (2S)-2-(hexanoylamino)-2-hydroxyacetate

Description: The molecule is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is a conjugate base of a N-hexanoyl-(2S)-hydroxyglycine.

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

SELFIES: [C][C][C][C][C][C][Branch1][C][O-1][=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)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 1.1