CAS 1187173-47-2

1,1-Dimethylethyl 3-amino-4-(3-methoxyphenyl)-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 3-amino-4-(3-methoxyphenyl)-1-pyrrolidinecarboxylate, identified by its CAS number 1187173-47-2, is a chemical compound that features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The amino group at the 3-position of the pyrrolidine ring suggests potential for hydrogen bonding and reactivity, while the 4-position substitution with a 3-methoxyphenyl group introduces aromatic characteristics, which may enhance lipophilicity and affect the compound's interaction with biological targets. The carboxylate functionality indicates that it may exist in both protonated and deprotonated forms depending on the pH of the environment. Overall, this compound's structural features suggest it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.

Formula: C₁₆H₂₄N₂O₃

InChI: InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-13(14(17)10-18)11-6-5-7-12(8-11)20-4/h5-8,13-14H,9-10,17H2,1-4H3

InChI key: InChIKey=DIPGATWUKWINFF-UHFFFAOYSA-N

SMILES: NC1C(CN(C(OC(C)(C)C)=O)C1)C2=CC(OC)=CC=C2

Synonyms:

• 1,1-Dimethylethyl 3-amino-4-(3-methoxyphenyl)-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 3-amino-4-(3-methoxyphenyl)-, 1,1-dimethylethyl ester