1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate
TL;DR: 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate (CAS 441772-75-4) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 3-O-methyl (3R)-pyrrolidine-1,3-dicarboxylate
Also Known As: (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate, (R)-1-Boc-pyrrolidine-1,3-dicarboxylate, (R)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester, 1-tert-butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate, Methyl 1-BOC-3-pyrrolidinecarboxylate
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 1.4164 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 282.19937 |
Chemical Identifiers
| CAS Number | 441772-75-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)OC |
Product Overview
1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate (CAS 441772-75-4), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: 1-O-tert-butyl 3-O-methyl (3R)-pyrrolidine-1,3-dicarboxylate.
Chemical Property Profile of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate
Property Insights of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate
The XLogP value of 1.4164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate has 0 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 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate?
The CAS number of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate is 441772-75-4.
What is the molecular formula of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate?
The molecular formula of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate is C11H19NO4.
What is the molecular weight of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate?
The molecular weight of 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate is 229.13 g/mol.
Where can I buy 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate?
You can request a quote for 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.