Molecule ID: 6441567

IUPAC Name: 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid

Description: The molecule is an N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group. It has a role as a metabolite. It derives from a glycine.

SMILES: C/C=C(\C)C(O)=NCC(=O)O

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

InChI: InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.3