2-(Ethyl carboxy)-3-methylbutanoic acid
TL;DR: 2-(Ethyl carboxy)-3-methylbutanoic acid (CAS 15145-46-7) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethoxycarbonyl-3-methylbutanoic acid
Also Known As: 2-(ethoxycarbonyl)-3-methylbutanoic acid, 2-Isopropyl-malonic acid monoethyl ester, 2-ethoxycarbonyl-3-methylbutanoic acid, 2-(ethyl carboxy)-3-methylbutanoic acid, Isopropyl-malonsaeure-monoaethylester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.0892 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | CCOC(=O)C(C(C)C)C(=O)O |
| InChIKey | HIAMVOUYSXARIQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Ethyl carboxy)-3-methylbutanoic acid
Property Insights of 2-(Ethyl carboxy)-3-methylbutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethyl carboxy)-3-methylbutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethyl carboxy)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(Ethyl carboxy)-3-methylbutanoic acid 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
What is the CAS number of 2-(Ethyl carboxy)-3-methylbutanoic acid?
The CAS number of 2-(Ethyl carboxy)-3-methylbutanoic acid is 15145-46-7.
What is the molecular formula of 2-(Ethyl carboxy)-3-methylbutanoic acid?
The molecular formula of 2-(Ethyl carboxy)-3-methylbutanoic acid is C8H14O4.
What is the molecular weight of 2-(Ethyl carboxy)-3-methylbutanoic acid?
The molecular weight of 2-(Ethyl carboxy)-3-methylbutanoic acid is 174.0892 g/mol.
Where can I buy 2-(Ethyl carboxy)-3-methylbutanoic acid?
You can request a quote for 2-(Ethyl carboxy)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Ethyl carboxy)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Ethyl carboxy)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.