CAS 1632286-12-4

3-Pyrrolidinecarboxylic acid, 4-(2-cyanophenyl)-, hydrochloride (1:1), (3R,4S)-rel-

Description:

3-Pyrrolidinecarboxylic acid, 4-(2-cyanophenyl)-, hydrochloride (1:1), (3R,4S)-rel- is a chemical compound characterized by its pyrrolidine backbone, which is a five-membered nitrogen-containing ring. The presence of a carboxylic acid functional group indicates its acidic nature, while the 4-(2-cyanophenyl) substituent suggests the presence of a phenyl group with a cyano group, contributing to its potential reactivity and biological activity. The hydrochloride form indicates that the compound is a salt formed with hydrochloric acid, which often enhances solubility in water and stability. The stereochemistry specified as (3R,4S) indicates the specific three-dimensional arrangement of atoms around the chiral centers, which can significantly influence the compound's pharmacological properties and interactions with biological targets. This compound may be of interest in medicinal chemistry and drug development, particularly in the context of its potential therapeutic applications. As with many chemical substances, safety and handling precautions should be observed due to its potential biological activity.

Formula: C₁₂H₁₂N₂O₂·ClH

InChI: InChI=1/C12H12N2O2.ClH/c13-5-8-3-1-2-4-9(8)10-6-14-7-11(10)12(15)16;/h1-4,10-11,14H,6-7H2,(H,15,16);1H/t10-,11+;/s2

InChI key: InChIKey=BCADHKOUMFUPGN-OGDSCFMUNA-N

SMILES: C(O)(=O)[C@@H]1[C@H](CNC1)C2=C(C#N)C=CC=C2.Cl

Synonyms:

• 3-Pyrrolidinecarboxylic acid, 4-(2-cyanophenyl)-, hydrochloride (1:1), (3R,4S)-rel-