Ethyl 3-(ethoxycarbonylmethylamino)propionate
TL;DR: Ethyl 3-(ethoxycarbonylmethylamino)propionate (CAS 3783-61-7) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 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]propanoate
Also Known As: Ethyl 3-(ethoxycarbonylmethylamino)propionate, Ethyl 3-((2-ethoxy-2-oxoethyl)amino)propanoate, ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate, N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTER, 1984AE
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 3783-61-7 |
|---|---|
| SMILES | CCOC(=O)CCNCC(=O)OCC |
| InChIKey | JHFQLFGNGSHVGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(ethoxycarbonylmethylamino)propionate (CAS 3783-61-7), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate.
Chemical Property Profile of Ethyl 3-(ethoxycarbonylmethylamino)propionate
Property Insights of Ethyl 3-(ethoxycarbonylmethylamino)propionate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(ethoxycarbonylmethylamino)propionate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(ethoxycarbonylmethylamino)propionate. Following Lipinski's Rule of Five, Ethyl 3-(ethoxycarbonylmethylamino)propionate 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)propionate?
The CAS number of Ethyl 3-(ethoxycarbonylmethylamino)propionate is 3783-61-7.
What is the molecular formula of Ethyl 3-(ethoxycarbonylmethylamino)propionate?
The molecular formula of Ethyl 3-(ethoxycarbonylmethylamino)propionate is C9H17NO4.
What is the molecular weight of Ethyl 3-(ethoxycarbonylmethylamino)propionate?
The molecular weight of Ethyl 3-(ethoxycarbonylmethylamino)propionate is 203.12 g/mol.
Where can I buy Ethyl 3-(ethoxycarbonylmethylamino)propionate?
You can request a quote for Ethyl 3-(ethoxycarbonylmethylamino)propionate 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)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(ethoxycarbonylmethylamino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.