CAS 1354009-96-3

(2S)-2-[[(1-Methylethyl)(phenylmethyl)amino]methyl]-1-pyrrolidineacetic acid

Description:

The chemical substance known as (2S)-2-[[(1-Methylethyl)(phenylmethyl)amino]methyl]-1-pyrrolidineacetic acid, with the CAS number 1354009-96-3, is a chiral compound featuring a pyrrolidine ring, which contributes to its stereochemistry. This compound contains an amino group, indicating potential basic properties, and an acetic acid moiety, which suggests it can act as a weak acid. The presence of both isopropyl and benzyl groups attached to the nitrogen atom enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The stereochemistry at the 2-position of the pyrrolidine ring is significant for its biological activity, as enantiomers can exhibit different pharmacological effects. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or enzymes. Its structural complexity and functional groups suggest potential interactions with biological macromolecules, making it a candidate for further investigation in drug design and development.

Formula: C₁₇H₂₆N₂O₂

InChI: InChI=1S/C17H26N2O2/c1-14(2)19(11-15-7-4-3-5-8-15)12-16-9-6-10-18(16)13-17(20)21/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,21)/t16-/m0/s1

InChI key: InChIKey=YUSKXYJBEXIQLC-INIZCTEOSA-N

SMILES: C(N(CC1=CC=CC=C1)C(C)C)[C@H]2N(CC(O)=O)CCC2

Synonyms:

• (2S)-2-[[(1-Methylethyl)(phenylmethyl)amino]methyl]-1-pyrrolidineacetic acid
• 1-Pyrrolidineacetic acid, 2-[[(1-methylethyl)(phenylmethyl)amino]methyl]-, (2S)-