(R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid (CAS 1217698-68-4) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: starbld0000477, (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid, Boc-(R)-alpha-(4-cyano-benzyl)-proline, Boc-{Bzl(4-CN)}Pro-OH, 6653AC
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 2.95508 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 669.74457 |
Chemical Identifiers
| CAS Number | 1217698-68-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@]1(CC2=CC=C(C=C2)C#N)C(=O)O |
Product Overview
(R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid (CAS 1217698-68-4), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: (2R)-2-[(4-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 2.95508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid is 1217698-68-4.
What is the molecular formula of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid is C18H22N2O4.
What is the molecular weight of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid is 330.16 g/mol.
Where can I buy (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-1-(tert-Butoxycarbonyl)-2-(4-cyanobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.