alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid
TL;DR: alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid (CAS 77006-27-0) is a chemical compound with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetic acid
Also Known As: Amaa acid, AMAA, 2-Amino-3-hydroxy-5-methyl-4-isoxazoleacetic acid, alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid, 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetic acid
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 77006-27-0 |
|---|---|
| SMILES | CC1=C(C(=O)NO1)C(C(=O)O)N |
| InChIKey | XIHYCWZNHQMZSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid (CAS 77006-27-0), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetic acid.
Chemical Property Profile of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid
Property Insights of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid
The XLogP value of -3.0 indicates that alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid. Following Lipinski's Rule of Five, alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid has 3 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 alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid?
The CAS number of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid is 77006-27-0.
What is the molecular formula of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid?
The molecular formula of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid is C6H8N2O4.
What is the molecular weight of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid?
The molecular weight of alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid is 172.05 g/mol.
Where can I buy alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid?
You can request a quote for alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amino-3-(hydroxy)-5-methyl-4-isoxazoleacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.