Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
TL;DR: Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 94459-23-1) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: ethyl N-(tert-butoxycarbonyl)valinate, Ethyl 2-(Boc-amino)-3-methylbutanoate, Ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate, ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate, Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 94459-23-1 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)NC(=O)OC(C)(C)C |
| InChIKey | JNKNQMOSZQCECU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 94459-23-1), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
Property Insights of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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 Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The CAS number of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 94459-23-1.
What is the molecular formula of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular formula of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is C12H23NO4.
What is the molecular weight of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular weight of Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 245.16 g/mol.
Where can I buy Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
You can request a quote for Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.