CAS 132945-86-9

1-Pyrrolidinecarboxylic acid, 4-cyano-2-(methoxymethyl)-, 1,1-dimethylethyl ester, (2S-cis)-

Description:

1-Pyrrolidinecarboxylic acid, 4-cyano-2-(methoxymethyl)-, 1,1-dimethylethyl ester, (2S-cis)-, identified by CAS number 132945-86-9, is a chemical compound characterized by its pyrrolidine backbone, which contributes to its cyclic structure and potential biological activity. The presence of a carboxylic acid functional group indicates that it can participate in various chemical reactions, such as esterification and amidation. The cyano group introduces a nitrile functionality, which can enhance the compound's reactivity and polarity. Additionally, the methoxymethyl group provides a methoxy substituent that can influence solubility and reactivity. The tert-butyl ester moiety suggests that the compound may exhibit increased lipophilicity, potentially affecting its pharmacokinetic properties. The (2S-cis) configuration indicates specific stereochemistry, which is crucial for biological activity and interaction with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and functional groups.

Formula: C₁₂H₂₀N₂O₃

InChI: InChI=1S/C12H20N2O3/c1-12(2,3)17-11(15)14-7-9(6-13)5-10(14)8-16-4/h9-10H,5,7-8H2,1-4H3/t9-,10+/m1/s1

InChI key: InChIKey=IAMHBYJCUZOYSI-ZJUUUORDSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](COC)C[C@H](C#N)C1

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 4-cyano-2-(methoxymethyl)-, 1,1-dimethylethyl ester, (2S-cis)-