Methyl 3-((tert-butoxycarbonyl)amino)butanoate
TL;DR: Methyl 3-((tert-butoxycarbonyl)amino)butanoate (CAS 106539-14-4) is a chemical compound with molecular formula C10H19NO4 and molecular weight 217.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: Methyl 3-((tert-butoxycarbonyl)amino)butanoate, methyl phenylselenomalonitrile, Methyl (S)-3-Boc-aminobutyrate, Methyl (R)-N-Boc-3-aminobutyrate, Methyl 3-(tert-butoxycarbonylamino)butanoate
| Molecular Formula | C10H19NO4 |
|---|---|
| Molecular Weight | 217.13 g/mol |
| LogP | 1.4627 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.13141 |
| Heavy Atoms | 15 |
| Complexity | 232.06711 |
Chemical Identifiers
| CAS Number | 106539-14-4 |
|---|---|
| SMILES | CC(CC(=O)OC)NC(=O)OC(C)(C)C |
Product Overview
Methyl 3-((tert-butoxycarbonyl)amino)butanoate (CAS 106539-14-4), with molecular formula C10H19NO4 and molecular weight 217.13 g/mol. IUPAC: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of Methyl 3-((tert-butoxycarbonyl)amino)butanoate
Property Insights of Methyl 3-((tert-butoxycarbonyl)amino)butanoate
The XLogP value of 1.4627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((tert-butoxycarbonyl)amino)butanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((tert-butoxycarbonyl)amino)butanoate. Following Lipinski's Rule of Five, Methyl 3-((tert-butoxycarbonyl)amino)butanoate has 1 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 Methyl 3-((tert-butoxycarbonyl)amino)butanoate?
The CAS number of Methyl 3-((tert-butoxycarbonyl)amino)butanoate is 106539-14-4.
What is the molecular formula of Methyl 3-((tert-butoxycarbonyl)amino)butanoate?
The molecular formula of Methyl 3-((tert-butoxycarbonyl)amino)butanoate is C10H19NO4.
What is the molecular weight of Methyl 3-((tert-butoxycarbonyl)amino)butanoate?
The molecular weight of Methyl 3-((tert-butoxycarbonyl)amino)butanoate is 217.13 g/mol.
Where can I buy Methyl 3-((tert-butoxycarbonyl)amino)butanoate?
You can request a quote for Methyl 3-((tert-butoxycarbonyl)amino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((tert-butoxycarbonyl)amino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((tert-butoxycarbonyl)amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.