Ethyl (isopropylamino)(oxo)acetate
TL;DR: Ethyl (isopropylamino)(oxo)acetate (CAS 160418-11-1) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-oxo-2-(propan-2-ylamino)acetate
Also Known As: ethyl (isopropylamino)(oxo)acetate, ethyl(isopropylcarbamoyl)formate, ethyl (isopropylcarbamoyl)formate, ethyl [(propan-2-yl)carbamoyl]formate, ethyl(isopropylamino)(oxo)acetate
Technical Specifications
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CCOC(=O)C(=O)NC(C)C |
| InChIKey | KNPIXOAOJUGPBM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (isopropylamino)(oxo)acetate
Property Insights of Ethyl (isopropylamino)(oxo)acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (isopropylamino)(oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl (isopropylamino)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (isopropylamino)(oxo)acetate 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
What is the CAS number of Ethyl (isopropylamino)(oxo)acetate?
The CAS number of Ethyl (isopropylamino)(oxo)acetate is 160418-11-1.
What is the molecular formula of Ethyl (isopropylamino)(oxo)acetate?
The molecular formula of Ethyl (isopropylamino)(oxo)acetate is C7H13NO3.
What is the molecular weight of Ethyl (isopropylamino)(oxo)acetate?
The molecular weight of Ethyl (isopropylamino)(oxo)acetate is 159.08954 g/mol.
Where can I buy Ethyl (isopropylamino)(oxo)acetate?
You can request a quote for Ethyl (isopropylamino)(oxo)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (isopropylamino)(oxo)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl (isopropylamino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.