N-(1-Oxobutyl)-L-aspartic acid
TL;DR: N-(1-Oxobutyl)-L-aspartic acid (CAS 1116-09-2) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(butanoylamino)butanedioic acid
Also Known As: Diepoxy-sorbitol, N-Butyryl-DL-aspartic acid, n-butanoyl-l-aspartic acid, N-(1-Oxobutyl)-DL-aspartic acid, N-(1-Oxobutyl)-L-aspartic acid
Technical Specifications
| Molecular Formula | C8H13NO5 |
| Molecular Weight | 203.07938 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.07938 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CCCC(=O)N[C@@H](CC(=O)O)C(=O)O |
| InChIKey | AKENSLPCKUWJFX-YFKPBYRVSA-N |
Chemical Property Profile of N-(1-Oxobutyl)-L-aspartic acid
Property Insights of N-(1-Oxobutyl)-L-aspartic acid
The XLogP value of -0.5 indicates that N-(1-Oxobutyl)-L-aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Oxobutyl)-L-aspartic acid. Following Lipinski's Rule of Five, N-(1-Oxobutyl)-L-aspartic 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
What is the CAS number of N-(1-Oxobutyl)-L-aspartic acid?
The CAS number of N-(1-Oxobutyl)-L-aspartic acid is 1116-09-2.
What is the molecular formula of N-(1-Oxobutyl)-L-aspartic acid?
The molecular formula of N-(1-Oxobutyl)-L-aspartic acid is C8H13NO5.
What is the molecular weight of N-(1-Oxobutyl)-L-aspartic acid?
The molecular weight of N-(1-Oxobutyl)-L-aspartic acid is 203.07938 g/mol.
Where can I buy N-(1-Oxobutyl)-L-aspartic acid?
You can request a quote for N-(1-Oxobutyl)-L-aspartic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-Oxobutyl)-L-aspartic acid?
Yes, CoreyChem provides custom synthesis services for N-(1-Oxobutyl)-L-aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.