Propanedioic acid, 2-amino-, 1,3-diethyl ester
TL;DR: Propanedioic acid, 2-amino-, 1,3-diethyl ester (CAS 6829-40-9) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-aminopropanedioate
Also Known As: Diethyl aminomalonate, Diethyl 2-aminomalonate, diethyl 2-aminopropanedioate, Diethyl2-aminomalonate, diethyl aminomalonate;
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 6829-40-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N |
| InChIKey | WLTCKEHCTUYJGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2-amino-, 1,3-diethyl ester (CAS 6829-40-9), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: diethyl 2-aminopropanedioate.
Chemical Property Profile of Propanedioic acid, 2-amino-, 1,3-diethyl ester
Property Insights of Propanedioic acid, 2-amino-, 1,3-diethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 2-amino-, 1,3-diethyl ester. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-amino-, 1,3-diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, 2-amino-, 1,3-diethyl ester 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 Propanedioic acid, 2-amino-, 1,3-diethyl ester?
The CAS number of Propanedioic acid, 2-amino-, 1,3-diethyl ester is 6829-40-9.
What is the molecular formula of Propanedioic acid, 2-amino-, 1,3-diethyl ester?
The molecular formula of Propanedioic acid, 2-amino-, 1,3-diethyl ester is C7H13NO4.
What is the molecular weight of Propanedioic acid, 2-amino-, 1,3-diethyl ester?
The molecular weight of Propanedioic acid, 2-amino-, 1,3-diethyl ester is 175.08 g/mol.
Where can I buy Propanedioic acid, 2-amino-, 1,3-diethyl ester?
You can request a quote for Propanedioic acid, 2-amino-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2-amino-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-amino-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.