(2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049734-41-9) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride, H-Pro{4-Bzl(2-Me)}-OH HCl, 1123AA, (R)-gamma-(2-methyl-benzyl)-L-proline-HCl, trans-4-(2-Methylbenzyl)-L-proline hydrochloride
Technical Specifications
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.1026 g/mol |
| XLogP | 2.02202 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1026 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CC1=CC=CC=C1C[C@@H]2C[C@H](NC2)C(=O)O.Cl |
| InChIKey | SAHJHZDLFHMZMC-IYJPBCIQSA-N |
Chemical Property Profile of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 2.02202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 3 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-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1049734-41-9.
What is the molecular formula of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C13H18ClNO2.
What is the molecular weight of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 255.1026 g/mol.
Where can I buy (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (2S,4R)-4-(2-Methylbenzyl)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-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.