Molecule ID: 88412

IUPAC Name: 2-(butanoylamino)acetic acid

Description: The molecule is a N-acylglycine obtained by formal condensation of the carboxy group of butyric acid with the amino group of glycine. It has a role as a human urinary metabolite. It derives from a butyric acid. It is a conjugate acid of a butyrylglycinate.

SMILES: CCCC(O)=NCC(=O)O

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

InChI: InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.1