Molecule ID: 5098711

IUPAC Name: 2-(octanoylamino)acetate

Description: The molecule is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octanoylglycine. The conjugate base of N-octanoylglycine; major species at pH 7.3. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-octanoylglycine.

SMILES: CCCCCCCC([O-])=NCC(=O)O

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

InChI: InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 2.8