CAS 19701-85-0

2-Pyrrolidinecarboxamide,1-acetyl-N-methyl-,(2S)-(9CI)

Description:

2-Pyrrolidinecarboxamide, 1-acetyl-N-methyl-, (2S)-(9CI), commonly referred to as a derivative of pyrrolidine, is an organic compound characterized by its amide functional group and a methyl group attached to the nitrogen atom. This compound features a pyrrolidine ring, which is a five-membered cyclic amine, contributing to its structural stability and reactivity. The presence of the acetyl group enhances its solubility in organic solvents and may influence its biological activity. As a chiral molecule, it exhibits stereoisomerism, with the (2S) configuration indicating the specific spatial arrangement of its atoms. This compound is of interest in medicinal chemistry due to its potential pharmacological properties, including effects on the central nervous system. Its CAS number, 19701-85-0, allows for precise identification in chemical databases. Safety and handling precautions should be observed, as with many organic compounds, to mitigate any potential health risks associated with exposure. Overall, 2-Pyrrolidinecarboxamide, 1-acetyl-N-methyl-, (2S)-(9CI) represents a significant structure in the study of amides and their applications in various fields.

Formula: C₈H₁₄N₂O₂

InChI: InChI=1/C8H14N2O2/c1-6(11)10-5-3-4-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12)

SMILES: CC(=O)N1CCCC1C(=NC)O

Synonyms:

• N-Acetylproline N-methylamide
• N-Acetyl-L-proline N-methylamide
• 2-Pyrrolidinecarboxamide, 1-acetyl-N-methyl-, (S)-
• 1-acetyl-N-methyl-L-prolinamide
• 1-acetyl-N-methylprolinamide

(2S)-1-Acetyl-N-methylpyrrolidine-2-carboxamide

CAS: 19701-85-0

(2S)-1-Acetyl-N-methylpyrrolidine-2-carboxamide is a functional theory that has been shown to be able to form an intramolecular hydrogen bond. This compound's crystal x-ray diffraction study showed the presence of a water molecule, which helps to stabilize the molecule. The molecule was found to interact with a nonpolar solvent, such as chloroform, through a hydrogen bond. The computational method used for this study was DFT (density functional theory). The hydroxymethyl group on the 1st carbon atom forms a hydrogen bond with the oxygen atom on the 2nd carbon atom and also interacts with the chlorine atom on the 3rd carbon atom.

Formula: C₈H₁₄N₂O₂

Purity: Min. 95%

Molecular weight: 170.21 g/mol

Ref: 3D-UAA70185