3,3-Dimethylaspartic acid
TL;DR: 3,3-Dimethylaspartic acid (CAS 469-41-0) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2,2-dimethylbutanedioic acid
Also Known As: 3,3-Dimethylaspartic acid, b,b-dimethylaspartic acid, 3-amino-2,2-dimethylbutanedioic acid, 3-amino-2,2-dimethylsuccinic acid, 3-amino-2,2-dimethylbutanedioicacid
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | -0.4909 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 187.0213 |
Chemical Identifiers
| CAS Number | 469-41-0 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)N)C(=O)O |
Product Overview
3,3-Dimethylaspartic acid (CAS 469-41-0), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: 3-amino-2,2-dimethylbutanedioic acid.
Chemical Property Profile of 3,3-Dimethylaspartic acid
Property Insights of 3,3-Dimethylaspartic acid
The XLogP value of -0.4909 indicates that 3,3-Dimethylaspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethylaspartic acid. Following Lipinski's Rule of Five, 3,3-Dimethylaspartic acid has 3 hydrogen bond donor(s) and 3 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 3,3-Dimethylaspartic acid?
The CAS number of 3,3-Dimethylaspartic acid is 469-41-0.
What is the molecular formula of 3,3-Dimethylaspartic acid?
The molecular formula of 3,3-Dimethylaspartic acid is C6H11NO4.
What is the molecular weight of 3,3-Dimethylaspartic acid?
The molecular weight of 3,3-Dimethylaspartic acid is 161.07 g/mol.
Where can I buy 3,3-Dimethylaspartic acid?
You can request a quote for 3,3-Dimethylaspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylaspartic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylaspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.