1-(2-Chlorobenzyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
[CAS# 175205-45-5]

Identification

• Name: 1-(2-Chlorobenzyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid
• Synonyms: 1-(2-chlorobenzyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(2-Chlorobenzyl)-5-oxopyrrolidine-; 1-(2-Chloro-benzyl)-5-oxo-pyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₂H₁₂ClNO₃
• Molecular Weight: 253.68
• CAS Registry Number: 175205-45-5
• SMILES: Clc1ccccc1CN2C(=O)CC(C(=O)O)C2
• InChI: 1S/C12H12ClNO3/c13-10-4-2-1-3-8(10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
• InChIKey: PUUMWLAHRHUIBU-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 496.862°C at 760 mmHg (Cal.)
• Flash point: 254.293°C (Cal.)
• Refractive index: 1.614 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23