tert-butyl N-(pyrrolidin-3-yl)carbamate
TL;DR: tert-butyl N-(pyrrolidin-3-yl)carbamate (CAS 946726-60-9) is a chemical compound with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-pyrrolidin-3-ylcarbamate
Also Known As: 3-Boc-aminopyrrolidine, 3-N-Boc-aminopyrrolidine, 3-(tert-Butoxycarbonylamino)pyrrolidine, tert-butyl pyrrolidin-3-ylcarbamate, 3-(Boc-amino)pyrrolidine
| Molecular Formula | C9H18N2O2 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 0.873 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.13683 |
| Heavy Atoms | 13 |
| Complexity | 180.54395 |
Chemical Identifiers
| CAS Number | 946726-60-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1CCNC1 |
Product Overview
tert-butyl N-(pyrrolidin-3-yl)carbamate (CAS 946726-60-9), with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol. IUPAC: tert-butyl N-pyrrolidin-3-ylcarbamate.
Chemical Property Profile of tert-butyl N-(pyrrolidin-3-yl)carbamate
Property Insights of tert-butyl N-(pyrrolidin-3-yl)carbamate
The XLogP value of 0.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(pyrrolidin-3-yl)carbamate. With a topological polar surface area (TPSA) of 50.36 Ų, tert-butyl N-(pyrrolidin-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(pyrrolidin-3-yl)carbamate has 2 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 N-(pyrrolidin-3-yl)carbamate?
The CAS number of tert-butyl N-(pyrrolidin-3-yl)carbamate is 946726-60-9.
What is the molecular formula of tert-butyl N-(pyrrolidin-3-yl)carbamate?
The molecular formula of tert-butyl N-(pyrrolidin-3-yl)carbamate is C9H18N2O2.
What is the molecular weight of tert-butyl N-(pyrrolidin-3-yl)carbamate?
The molecular weight of tert-butyl N-(pyrrolidin-3-yl)carbamate is 186.14 g/mol.
Where can I buy tert-butyl N-(pyrrolidin-3-yl)carbamate?
You can request a quote for tert-butyl N-(pyrrolidin-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(pyrrolidin-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(pyrrolidin-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.