Benzyl 3-aminopyrrolidine-1-carboxylate
TL;DR: Benzyl 3-aminopyrrolidine-1-carboxylate (CAS 550378-39-7) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-aminopyrrolidine-1-carboxylate
Also Known As: Benzyl 3-aminopyrrolidine-1-carboxylate, 1-cbz-3-aminopyrrolidine, 3-amino-1-n-cbz-pyrrolidine, n-cbz-3-aminopyrrolidine, 1-cbz-3-amino pyrrolidine
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 1.3562 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 353.2962 |
Chemical Identifiers
| CAS Number | 550378-39-7 |
|---|---|
| SMILES | C1CN(CC1N)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 3-aminopyrrolidine-1-carboxylate (CAS 550378-39-7), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: benzyl 3-aminopyrrolidine-1-carboxylate.
Chemical Property Profile of Benzyl 3-aminopyrrolidine-1-carboxylate
Property Insights of Benzyl 3-aminopyrrolidine-1-carboxylate
The XLogP value of 1.3562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-aminopyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 55.56 Ų, Benzyl 3-aminopyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-aminopyrrolidine-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 Benzyl 3-aminopyrrolidine-1-carboxylate?
The CAS number of Benzyl 3-aminopyrrolidine-1-carboxylate is 550378-39-7.
What is the molecular formula of Benzyl 3-aminopyrrolidine-1-carboxylate?
The molecular formula of Benzyl 3-aminopyrrolidine-1-carboxylate is C12H16N2O2.
What is the molecular weight of Benzyl 3-aminopyrrolidine-1-carboxylate?
The molecular weight of Benzyl 3-aminopyrrolidine-1-carboxylate is 220.12 g/mol.
Where can I buy Benzyl 3-aminopyrrolidine-1-carboxylate?
You can request a quote for Benzyl 3-aminopyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-aminopyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-aminopyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.