4-Nitro-2-aminobutyric acid
TL;DR: 4-Nitro-2-aminobutyric acid (CAS 126400-78-0) is a chemical compound with molecular formula C4H8N2O4 and molecular weight 148.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-4-nitrobutanoic acid
Also Known As: Nitrohomoalanine, 4-Nitro-2-aminobutyric acid, (2s)-2-amino-4-nitrobutanoic acid, 3NP-Mmrfrt, 2-amino-4-nitrobutanoic acid
Technical Specifications
| Molecular Formula | C4H8N2O4 |
| Molecular Weight | 148.0484 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0484 Da |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
| SMILES | C(C[N+](=O)[O-])[C@@H](C(=O)O)N |
| InChIKey | YCCLEMIPIFWUCM-VKHMYHEASA-N |
Chemical Property Profile of 4-Nitro-2-aminobutyric acid
Property Insights of 4-Nitro-2-aminobutyric acid
The XLogP value of -3.4 indicates that 4-Nitro-2-aminobutyric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-aminobutyric acid. Following Lipinski's Rule of Five, 4-Nitro-2-aminobutyric acid has 2 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 4-Nitro-2-aminobutyric acid?
The CAS number of 4-Nitro-2-aminobutyric acid is 126400-78-0.
What is the molecular formula of 4-Nitro-2-aminobutyric acid?
The molecular formula of 4-Nitro-2-aminobutyric acid is C4H8N2O4.
What is the molecular weight of 4-Nitro-2-aminobutyric acid?
The molecular weight of 4-Nitro-2-aminobutyric acid is 148.0484 g/mol.
Where can I buy 4-Nitro-2-aminobutyric acid?
You can request a quote for 4-Nitro-2-aminobutyric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-2-aminobutyric acid?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-2-aminobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.