(3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid
TL;DR: (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid (CAS 148823-36-3) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Also Known As: H-Asp-OtBu, L-Asp-OtBu, L-Aspartic acid 1-tert-butyl ester, H-Chg-OMe?Cl, H-D-Asp-OtBu
Technical Specifications
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.10011 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.10011 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | CC(C)(C)OC(=O)[C@H](CC(=O)O)N |
| InChIKey | PUWCNJZIFKBDJQ-YFKPBYRVSA-N |
Chemical Property Profile of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid
Property Insights of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid
The XLogP value of -1.9 indicates that (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid has 1 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 (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid?
The CAS number of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid is 148823-36-3.
What is the molecular formula of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular formula of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid is C8H15NO4.
What is the molecular weight of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid?
The molecular weight of (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid is 189.10011 g/mol.
Where can I buy (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid?
You can request a quote for (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.