Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester
TL;DR: Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester (CAS 105918-90-9) is a chemical compound with molecular formula C8H14N2O4 and molecular weight 202.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(butylcarbamoylamino)-2-oxoacetate
Also Known As: 5-Butyloxaluric acid methyl ester, Methyl ((butylaminocarbonyl)amino)oxoacetate, Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester, methyl 2-(butylcarbamoylamino)-2-oxoacetate, Methyl [(butylcarbamoyl)amino](oxo)acetate
Technical Specifications
| Molecular Formula | C8H14N2O4 |
| Molecular Weight | 202.09535 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.09535 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CCCCNC(=O)NC(=O)C(=O)OC |
| InChIKey | SMECZHUPBDKVMP-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester
Property Insights of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester has 2 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 Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester?
The CAS number of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester is 105918-90-9.
What is the molecular formula of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester?
The molecular formula of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester is C8H14N2O4.
What is the molecular weight of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester?
The molecular weight of Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester is 202.09535 g/mol.
Where can I buy Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester?
You can request a quote for Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((butylaminocarbonyl)amino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.