2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
TL;DR: 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate (CAS 14165-80-1) is a chemical compound with molecular formula C10H16N2O4 and molecular weight 228.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
Also Known As: ATPA, Tox21_500139, A-263, 3-(5-tert-butyl-3-hydroxy-1,2-oxazol-4-yl)alanine, 2-azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16N2O4 |
| Molecular Weight | 228.11101 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.11101 Da |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
| SMILES | CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)[O-])[NH3+] |
| InChIKey | PIXJURSCCVBKRF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
Property Insights of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
The XLogP value of -1.3 indicates that 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate. Following Lipinski's Rule of Five, 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate 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
What is the CAS number of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate?
The CAS number of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate is 14165-80-1.
What is the molecular formula of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate?
The molecular formula of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate is C10H16N2O4.
What is the molecular weight of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate?
The molecular weight of 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate is 228.11101 g/mol.
Where can I buy 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate?
You can request a quote for 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for 2-Azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.