(2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid (CAS 1217977-64-4) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-cyanobenzyl)proline, (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylicacid, (2S,4R)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-[(4-cyanophenyl)methyl]-2-pyrrolidinecarboxylic acid
Technical Specifications
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.10553 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 Da |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC=C(C=C2)C#N |
| InChIKey | XTGWBSMJMPPTAC-NEPJUHHUSA-N |
Chemical Property Profile of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of -0.1 indicates that (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid is 1217977-64-4.
What is the molecular formula of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid is C13H14N2O2.
What is the molecular weight of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid is 230.10553 g/mol.
Where can I buy (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(4-Cyanobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.