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CAS 1049734-84-0

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

Description:
3-Pyrrolidinecarboxylic acid, 4-(2-cyanophenyl)-, hydrochloride (1:1), (3S,4R)- is a chemical compound characterized by its specific stereochemistry and functional groups. It features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and a carboxylic acid functional group that contributes to its acidity and potential for forming salts. The presence of a cyanophenyl substituent indicates the presence of a phenyl ring with a cyano group, which can influence the compound's reactivity and polarity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its bioavailability for pharmaceutical applications. The stereochemical designation (3S,4R) indicates the specific spatial arrangement of atoms around the chiral centers, which can significantly affect the compound's biological activity and interaction with receptors. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C12H12N2O2·ClH
InChI:InChI=1S/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+;/m0./s1
InChI key:InChIKey=BCADHKOUMFUPGN-VZXYPILPSA-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), (3S,4R)-
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