TL;DR: 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid (CAS 1396962-55-2) is a chemical compound with molecular formula C8H8N2O6 and molecular weight 228.03824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-nitrofuran-2-carbonyl)amino]propanoic acid
Also Known As: 2-[(5-nitrofuran-2-yl)formamido]propanoic acid, 2-[(5-nitrofuran-2-carbonyl)amino]propanoic Acid, 2-[(5-nitrofuran-2-yl)formamido]propanoicacid
| Molecular Formula | C8H8N2O6 |
| Molecular Weight | 228.03824 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03824 Da |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
| SMILES | CC(C(=O)O)NC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | RKVURLUZPDESNH-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid. Following Lipinski's Rule of Five, 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid is 1396962-55-2.
The molecular formula of 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid is C8H8N2O6.
The molecular weight of 2-[(5-Nitrofuran-2-yl)formamido]propanoic acid is 228.03824 g/mol.
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