4-Amino-4-cyanobutanoic acid
TL;DR: 4-Amino-4-cyanobutanoic acid (CAS 14046-56-1) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-4-cyanobutanoic acid
Also Known As: 4-Amino-4-cyanobutanoic acid, 4-Amino-4-cyanobutyric acid, 4-amino-4-cyano-butanoic acid, 4-Amino-4-cyanobutanoicAcid, gamma-Amino-gamma-cyanobutanoate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N2O2 |
| Molecular Weight | 128.05858 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.05858 Da |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
| SMILES | C(CC(=O)O)C(C#N)N |
| InChIKey | DXWQLTOXWVWMOH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-4-cyanobutanoic acid
Property Insights of 4-Amino-4-cyanobutanoic acid
The XLogP value of -3.3 indicates that 4-Amino-4-cyanobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4-cyanobutanoic acid. Following Lipinski's Rule of Five, 4-Amino-4-cyanobutanoic acid 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 4-Amino-4-cyanobutanoic acid?
The CAS number of 4-Amino-4-cyanobutanoic acid is 14046-56-1.
What is the molecular formula of 4-Amino-4-cyanobutanoic acid?
The molecular formula of 4-Amino-4-cyanobutanoic acid is C5H8N2O2.
What is the molecular weight of 4-Amino-4-cyanobutanoic acid?
The molecular weight of 4-Amino-4-cyanobutanoic acid is 128.05858 g/mol.
Where can I buy 4-Amino-4-cyanobutanoic acid?
You can request a quote for 4-Amino-4-cyanobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-4-cyanobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-4-cyanobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.