Ethyl 2-amino-2-methylbutyrate
TL;DR: Ethyl 2-amino-2-methylbutyrate (CAS 13893-46-4) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-2-methylbutanoate
Also Known As: Ethyl 2-amino-2-methylbutyrate, Ethyl 2-amino-2-methylbutanoate, Ethyl isovalinate, DL-Isovaline, ethyl ester, Isovaline, ethyl ester
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 13893-46-4 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)N |
| InChIKey | YZZNKFDTPRWHHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-2-methylbutyrate (CAS 13893-46-4), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: ethyl 2-amino-2-methylbutanoate.
Chemical Property Profile of Ethyl 2-amino-2-methylbutyrate
Property Insights of Ethyl 2-amino-2-methylbutyrate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-2-methylbutyrate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 2-amino-2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-amino-2-methylbutyrate 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 Ethyl 2-amino-2-methylbutyrate?
The CAS number of Ethyl 2-amino-2-methylbutyrate is 13893-46-4.
What is the molecular formula of Ethyl 2-amino-2-methylbutyrate?
The molecular formula of Ethyl 2-amino-2-methylbutyrate is C7H15NO2.
What is the molecular weight of Ethyl 2-amino-2-methylbutyrate?
The molecular weight of Ethyl 2-amino-2-methylbutyrate is 145.11 g/mol.
Where can I buy Ethyl 2-amino-2-methylbutyrate?
You can request a quote for Ethyl 2-amino-2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.