Dimethyl 3-aminoglutaconate
TL;DR: Dimethyl 3-aminoglutaconate (CAS 63547-62-6) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-aminopent-2-enedioate
Also Known As: dimethyl 3-aminopent-2-enedioate, dimethyl 3-aminoglutaconate, Dimethyl-3-aminoglutaconate, dimethyl 3-amino-2-pentenedioate, 2-Pentenedioic acid, 3-amino-, dimethyl ester
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 63547-62-6 |
|---|---|
| SMILES | COC(=O)CC(=CC(=O)OC)N |
| InChIKey | CIDSYVVJNVVERM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 3-aminoglutaconate (CAS 63547-62-6), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: dimethyl 3-aminopent-2-enedioate.
Chemical Property Profile of Dimethyl 3-aminoglutaconate
Property Insights of Dimethyl 3-aminoglutaconate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-aminoglutaconate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-aminoglutaconate. Following Lipinski's Rule of Five, Dimethyl 3-aminoglutaconate 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 Dimethyl 3-aminoglutaconate?
The CAS number of Dimethyl 3-aminoglutaconate is 63547-62-6.
What is the molecular formula of Dimethyl 3-aminoglutaconate?
The molecular formula of Dimethyl 3-aminoglutaconate is C7H11NO4.
What is the molecular weight of Dimethyl 3-aminoglutaconate?
The molecular weight of Dimethyl 3-aminoglutaconate is 173.07 g/mol.
Where can I buy Dimethyl 3-aminoglutaconate?
You can request a quote for Dimethyl 3-aminoglutaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-aminoglutaconate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-aminoglutaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.