CAS 1049980-13-3

(3S,4R)-4-(3,5-Dimethoxyphenyl)-3-pyrrolidinecarboxylic acid

Description:

The chemical substance known as (3S,4R)-4-(3,5-Dimethoxyphenyl)-3-pyrrolidinecarboxylic acid, with the CAS number 1049980-13-3, is a chiral compound characterized by its specific stereochemistry at the pyrrolidine ring. This compound features a pyrrolidine backbone, which is a five-membered nitrogen-containing heterocycle, and is substituted with a 3,5-dimethoxyphenyl group, contributing to its aromatic properties. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The stereochemical configuration (3S,4R) suggests that the compound may exhibit unique biological activity or pharmacological properties, as chirality often influences the interaction of molecules with biological targets. This compound may be of interest in medicinal chemistry and drug development, particularly in the context of designing compounds with specific therapeutic effects. Its structural features and stereochemistry could also play a role in its reactivity and interaction with other chemical species.

Formula: C₁₃H₁₇NO₄

InChI: InChI=1S/C13H17NO4/c1-17-9-3-8(4-10(5-9)18-2)11-6-14-7-12(11)13(15)16/h3-5,11-12,14H,6-7H2,1-2H3,(H,15,16)/t11-,12+/m0/s1

InChI key: InChIKey=FBFGHGLKHHVFCD-NWDGAFQWSA-N

SMILES: C(O)(=O)[C@H]1[C@H](C2=CC(OC)=CC(OC)=C2)CNC1

Synonyms:

• (3S,4R)-4-(3,5-Dimethoxyphenyl)-3-pyrrolidinecarboxylic acid
• 3-Pyrrolidinecarboxylic acid, 4-(3,5-dimethoxyphenyl)-, (3S,4R)-
• (3S,4R)-4-(3,5-DIMETHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID