Molecule ID: 441440

IUPAC Name: 3-(trimethylazaniumyl)propanoate

Description: The molecule is a beta-alanine derivative arising from quaternisation of the nitrogen of beta-alanine with three methyl groups and removal of the proton attached to the carboxy group. It is an osmoprotective compound accumulated by most members of the highly stress-tolerant Plumbaginaceae family. It has a role as a plant metabolite. It is an amino-acid betaine and a beta-alanine derivative.

SMILES: C[N+](C)(C)CCC(=O)[O-]

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

InChI: InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 0.4