4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
TL;DR: 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester (CAS 336182-08-2) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]acetic acid
Also Known As: boc-o-benzyl-l-beta-homohydroxyproline, 2-[(2S,4R)-4-benzyloxy-1-tert-butoxycarbonyl-pyrrolidin-2-yl]acetic acid, 2-[4-(benzyloxy)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]acetic acid, 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxy-pyrrolidin-2-yl]acetic Acid
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 3.0559 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 566.5219 |
Chemical Identifiers
| CAS Number | 336182-08-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(CC1CC(=O)O)OCC2=CC=CC=C2 |
Product Overview
4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester (CAS 336182-08-2), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]acetic acid.
Chemical Property Profile of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Property Insights of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
The XLogP value of 3.0559 indicates that 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester. Following Lipinski's Rule of Five, 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester 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 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester?
The CAS number of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester is 336182-08-2.
What is the molecular formula of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester?
The molecular formula of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester is C18H25NO5.
What is the molecular weight of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester?
The molecular weight of 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester is 335.17 g/mol.
Where can I buy 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester?
You can request a quote for 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-2-carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.