(2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049744-07-1) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride, 1-Boc-homopiperazine HCl, H-Pro{4-Bzl(3-CN)}-OH HCl, 1149AA, (R)-gamma-(3-cyano-benzyl)-L-proline HCl
Technical Specifications
| Molecular Formula | C13H15ClN2O2 |
| Molecular Weight | 266.0822 g/mol |
| XLogP | 1.58528 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0822 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=CC=C2)C#N.Cl |
| InChIKey | FSNJEOOSDZKTSR-LYCTWNKOSA-N |
Chemical Property Profile of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 1.58528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 3 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 (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1049744-07-1.
What is the molecular formula of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C13H15ClN2O2.
What is the molecular weight of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 266.0822 g/mol.
Where can I buy (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(3-Cyanobenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.