Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate
TL;DR: Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate (CAS 51925-56-5) is a chemical compound with molecular formula C9H15NO5 and molecular weight 217.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate
Also Known As: Ethyl 3-((2-ethoxy-2-oxoethyl)amino)-3-oxopropanoate, Maybridge1_006184, Ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate, ethyl 3-(2-ethoxy-2-oxoethylamino)-3-oxopropanoate, ethyl N-(ethoxycarbonylacethyl)aminoacetate
| Molecular Formula | C9H15NO5 |
|---|---|
| Molecular Weight | 217.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 217.09502 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 51925-56-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NCC(=O)OCC |
| InChIKey | DFQQYYNSQWWZNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate (CAS 51925-56-5), with molecular formula C9H15NO5 and molecular weight 217.10 g/mol. IUPAC: ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate
Property Insights of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate. Following Lipinski's Rule of Five, Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate?
The CAS number of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate is 51925-56-5.
What is the molecular formula of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate?
The molecular formula of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate is C9H15NO5.
What is the molecular weight of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate?
The molecular weight of Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate is 217.10 g/mol.
Where can I buy Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate?
You can request a quote for Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.