(2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid (CAS 1049982-04-8) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4R)-4-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-tert-butylbenzyl)proline, (2S,4R)-4-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-(tert-Butyl)benzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-(4-(tert-Butyl)benzyl)pyrrolidine-2-carboxylicacid
Technical Specifications
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[C@@H]2C[C@H](NC2)C(=O)O |
| InChIKey | JAAMSIHVMRHWTQ-OCCSQVGLSA-N |
Chemical Property Profile of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.3 Ų, (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid has 2 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-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid is 1049982-04-8.
What is the molecular formula of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid is C16H23NO2.
What is the molecular weight of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid is 261.17288 g/mol.
Where can I buy (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(4-tert-Butylbenzyl)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-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,4R)-4-(4-tert-Butylbenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.