Molecule ID: 546304

IUPAC Name: 2-(3-methylbutanoylamino)acetic acid

Description: The molecule is an N-acylglycine in which the acyl group is specified as isovaleryl. It has a role as a human urinary metabolite. It is a conjugate acid of a N-isovalerylglycinate.

SMILES: CC(C)CC(O)=NCC(=O)O

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

InChI: InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.5