Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
TL;DR: Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate (CAS 879552-80-4) is a chemical compound with molecular formula C10H18N2O3 and molecular weight 214.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
Also Known As: 1-Boc-3-Carbamoylpyrrolidine, 3-Aminocarbonyl-1-Boc-pyrrolidine, Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate, 1-Boc-pyrrolidine-3-carboxamide, 1-Boc-pyrrolidine-3-carboxyamide
| Molecular Formula | C10H18N2O3 |
|---|---|
| Molecular Weight | 214.13 g/mol |
| LogP | 0.7287 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.13174 |
| Heavy Atoms | 15 |
| Complexity | 270.3313 |
Chemical Identifiers
| CAS Number | 879552-80-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)C(=O)N |
Product Overview
Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate (CAS 879552-80-4), with molecular formula C10H18N2O3 and molecular weight 214.13 g/mol. IUPAC: tert-butyl 3-carbamoylpyrrolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
Property Insights of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate
The XLogP value of 0.7287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate is 879552-80-4.
What is the molecular formula of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate is C10H18N2O3.
What is the molecular weight of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate is 214.13 g/mol.
Where can I buy Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-carbamoylpyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.