TL;DR: (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid (CAS 162678-47-9) 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.
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
Also Known As: rac trans-4-Cotinine Carboxylic Acid, Trans-4-cotinine carboxylic acid, (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid, (+/-)-trans-4-Cotininecarboxylic Acid, trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| 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 | CN1[C@H]([C@@H](CC1=O)C(=O)O)C2=CN=CC=C2 |
| InChIKey | DEYLVDCFTICBTB-SCZZXKLOSA-N |
The XLogP value of -0.6 indicates that (2R,3R)-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 (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (2R,3R)-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.
The CAS number of (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is 162678-47-9.
The molecular formula of (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is C11H12N2O3.
The molecular weight of (2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid is 220.0848 g/mol.
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