![2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid structure](/static/products/1396/1396964-80-9.webp)
2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid
TL;DR: 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid (CAS 1396964-80-9) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid
Also Known As: N-(4-ethylbenzoyl)valine, 2-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid, N-[(4-ethylphenyl)carbonyl]valine, 2-[(4-ETHYLPHENYL)FORMAMIDO]-3-METHYLBUTANOIC ACID, AB00118213-01
Technical Specifications
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
| SMILES | CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O |
| InChIKey | OPPMQFXQMJPMMZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid
Property Insights of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid
The XLogP value of 3.0 indicates that 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 3 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-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid?
The CAS number of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid is 1396964-80-9.
What is the molecular formula of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid?
The molecular formula of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid is C14H19NO3.
What is the molecular weight of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid?
The molecular weight of 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid is 249.13649 g/mol.
Where can I buy 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid?
You can request a quote for 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.