![2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid structure](/static/products/1396/1396964-39-8.webp)
2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid
TL;DR: 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid (CAS 1396964-39-8) is a chemical compound with molecular formula C13H17FN2O3 and molecular weight 268.1223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
Also Known As: 2-({[(4-fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid, ((4-FLUOROBENZYL)CARBAMOYL)VALINE, 2-({[(4-fluorobenzyl)amino]carbonyl}amino)-3-methylbutanoic acid, 2-[(4-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid, 2-[(4-fluorophenyl)methylcarbamoylamino]-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C13H17FN2O3 |
| Molecular Weight | 268.1223 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.1223 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | CC(C)C(C(=O)O)NC(=O)NCC1=CC=C(C=C1)F |
| InChIKey | OWUMZXHQKNVKHE-UHFFFAOYSA-N |
Chemical Property Profile of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid
Property Insights of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid has 3 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-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid?
The CAS number of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid is 1396964-39-8.
What is the molecular formula of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid?
The molecular formula of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid is C13H17FN2O3.
What is the molecular weight of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid?
The molecular weight of 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid is 268.1223 g/mol.
Where can I buy 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid?
You can request a quote for 2-({[(4-Fluorophenyl)methyl]carbamoyl}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-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.