TL;DR: 2-nitramidopropanoic Acid (CAS 130790-37-3) is a chemical compound with molecular formula C3H6N2O4 and molecular weight 134.03276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitramidopropanoic acid
Also Known As: 2-nitramidopropanoic Acid, Alanine, N-nitro- (9CI)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H6N2O4 |
| Molecular Weight | 134.03276 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.03276 Da |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
| SMILES | CC(C(=O)O)N[N+](=O)[O-] |
| InChIKey | ICVUAMUSASFFOR-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitramidopropanoic Acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitramidopropanoic Acid. Following Lipinski's Rule of Five, 2-nitramidopropanoic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-nitramidopropanoic Acid is 130790-37-3.
The molecular formula of 2-nitramidopropanoic Acid is C3H6N2O4.
The molecular weight of 2-nitramidopropanoic Acid is 134.03276 g/mol.
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