Diethyl 2-(methylcarbamoylamino)propanedioate
TL;DR: Diethyl 2-(methylcarbamoylamino)propanedioate (CAS 21823-90-5) is a chemical compound with molecular formula C9H16N2O5 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(methylcarbamoylamino)propanedioate
Also Known As: diethyl 2-(methylcarbamoylamino)propanedioate, diethyl 2-(3-methylureido)malonate, diethyl 2-[(methylcarbamoyl)amino]malonate, Diethyl [(methylcarbamoyl)amino]propanedioate, Malonicacid,(3-methylureido)-,diethyl ester (8CI)
| Molecular Formula | C9H16N2O5 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 232.10593 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 21823-90-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)NC |
| InChIKey | YKKRTQLRZKWVDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(methylcarbamoylamino)propanedioate (CAS 21823-90-5), with molecular formula C9H16N2O5 and molecular weight 232.11 g/mol. IUPAC: diethyl 2-(methylcarbamoylamino)propanedioate.
Chemical Property Profile of Diethyl 2-(methylcarbamoylamino)propanedioate
Property Insights of Diethyl 2-(methylcarbamoylamino)propanedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(methylcarbamoylamino)propanedioate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(methylcarbamoylamino)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(methylcarbamoylamino)propanedioate has 2 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 Diethyl 2-(methylcarbamoylamino)propanedioate?
The CAS number of Diethyl 2-(methylcarbamoylamino)propanedioate is 21823-90-5.
What is the molecular formula of Diethyl 2-(methylcarbamoylamino)propanedioate?
The molecular formula of Diethyl 2-(methylcarbamoylamino)propanedioate is C9H16N2O5.
What is the molecular weight of Diethyl 2-(methylcarbamoylamino)propanedioate?
The molecular weight of Diethyl 2-(methylcarbamoylamino)propanedioate is 232.11 g/mol.
Where can I buy Diethyl 2-(methylcarbamoylamino)propanedioate?
You can request a quote for Diethyl 2-(methylcarbamoylamino)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(methylcarbamoylamino)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(methylcarbamoylamino)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.