1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid
TL;DR: 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid (CAS 161171-06-8) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
Also Known As: Cotinine,4-carboxy, Cotinine, 4-carboxy-, TimTec1_003237, 1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid, rac trans-4-Cotinine Carboxylic Acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.0848 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0848 Da |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| SMILES | CN1C(C(CC1=O)C(=O)O)C2=CN=CC=C2 |
| InChIKey | DEYLVDCFTICBTB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid
Property Insights of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid
The XLogP value of -0.6 indicates that 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid?
The CAS number of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is 161171-06-8.
What is the molecular formula of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid?
The molecular formula of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is C11H12N2O3.
What is the molecular weight of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid?
The molecular weight of 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is 220.0848 g/mol.
Where can I buy 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid?
You can request a quote for 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.