Molecule ID: 20351642

IUPAC Name: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ketorolac. The major species at pH 7.3. It is a monocarboxylic acid anion and an amino-acid anion. It is a conjugate base of a ketorolac.

SMILES: O=C(c1ccccc1)c1ccc2n1CCC2C(=O)[O-]

SELFIES: [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 62.1 Ų
- LogP: 2.6