1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate
TL;DR: 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate (CAS 54503-13-8) 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 2-carbamoylpyrrolidine-1-carboxylate
Also Known As: tert-butyl 2-carbamoylpyrrolidine-1-carboxylate, boc-pro-nh2, D-1-N-Boc-prolinamide, DL-1-Boc-prolinamide, N-Boc-D-Prolinamide
| Molecular Formula | C10H18N2O3 |
|---|---|
| Molecular Weight | 214.13 g/mol |
| LogP | 0.8712 |
| 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 | 54503-13-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC1C(=O)N |
Product Overview
1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate (CAS 54503-13-8), with molecular formula C10H18N2O3 and molecular weight 214.13 g/mol. IUPAC: tert-butyl 2-carbamoylpyrrolidine-1-carboxylate.
Chemical Property Profile of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate
Property Insights of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate
The XLogP value of 0.8712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate 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 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate?
The CAS number of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate is 54503-13-8.
What is the molecular formula of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate?
The molecular formula of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate is C10H18N2O3.
What is the molecular weight of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate?
The molecular weight of 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate is 214.13 g/mol.
Where can I buy 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate?
You can request a quote for 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.