Molecule ID: 135563677

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

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

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

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12(16)15-13(17)14(18)19/h13,17H,2-11H2,1H3,(H,15,16)(H,18,19)/p-1/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 4.4