CAS 1187931-68-5

Benzoic acid, 4-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-, hydrochloride (1:1)

Description:

Benzoic acid, 4-[[[3R]-3-hydroxy-1-pyrrolidinyl]methyl]-, hydrochloride (1:1) is a chemical compound characterized by its structural features that include a benzoic acid moiety and a pyrrolidine derivative. The presence of the hydroxyl group on the pyrrolidine ring suggests potential for hydrogen bonding, which may influence its solubility and reactivity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its bioavailability in pharmaceutical applications. This compound may exhibit properties such as being a weak acid due to the carboxylic acid group, and it may participate in various chemical reactions, including esterification and amidation. Its stereochemistry, indicated by the (3R) configuration, suggests specific spatial arrangements that could affect its biological activity and interaction with receptors. Overall, this compound may have applications in medicinal chemistry, particularly in the development of therapeutics targeting specific biological pathways.

Formula: C₁₂H₁₅NO₃·ClH

InChI: InChI=1S/C12H15NO3.ClH/c14-11-5-6-13(8-11)7-9-1-3-10(4-2-9)12(15)16;/h1-4,11,14H,5-8H2,(H,15,16);1H/t11-;/m1./s1

InChI key: InChIKey=BNNDWJCVRUZFHA-RFVHGSKJSA-N

SMILES: C(C1=CC=C(C(O)=O)C=C1)N2C[C@H](O)CC2.Cl

Synonyms:

• Benzoic acid, 4-[[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-, hydrochloride (1:1)