Molecule ID: 4479243

IUPAC Name: 1,1-dimethylpiperidin-1-ium-2-carboxylate

Description: The molecule is an ammonium betaine that is pipecolic acid zwitterion with methyl groups substituted for the two hydrogens at the nitrogen. It is found in in fruits, seeds, and leaves of orange, lemon, and bergamot. It has a role as a plant metabolite.

SMILES: C[N+]1(C)CCCCC1C(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 1.4