Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
TL;DR: Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester (CAS 89996-02-1) is a chemical compound with molecular formula C9H15NO4 and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-hydroxy-2-(prop-2-enoylamino)acetate
Also Known As: Butyl Acrylamidoglycolate, Butyl 2-hydroxy-2-(prop-2-enoylamino)acetate, Butyl hydroxy[(prop-2-enoyl)amino]acetate, Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester, 6-(dimethylamino)hexyl-triphenylphosphanium,bromide
| Molecular Formula | C9H15NO4 |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 201.10011 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 89996-02-1 |
|---|---|
| SMILES | CCCCOC(=O)C(NC(=O)C=C)O |
| InChIKey | ZXJMJMWVKXAUEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester (CAS 89996-02-1), with molecular formula C9H15NO4 and molecular weight 201.10 g/mol. IUPAC: butyl 2-hydroxy-2-(prop-2-enoylamino)acetate.
Chemical Property Profile of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
Property Insights of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester. Following Lipinski's Rule of Five, Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester has 2 hydrogen bond donor(s) and 4 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 Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester?
The CAS number of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester is 89996-02-1.
What is the molecular formula of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester?
The molecular formula of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester is C9H15NO4.
What is the molecular weight of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester?
The molecular weight of Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester is 201.10 g/mol.
Where can I buy Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester?
You can request a quote for Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.