TL;DR: 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide (CAS 1341459-52-6) is a chemical compound with molecular formula C8H17N3O2 and molecular weight 187.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-4-oxobutyl)amino]butanamide
Also Known As: 4-(1-carbamoylpropylamino)butanamide, 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide
| Molecular Formula | C8H17N3O2 |
| Molecular Weight | 187.13208 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 187.13208 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | CCC(C(=O)N)NCCCC(=O)N |
| InChIKey | ZBLIBSZFJDVSSB-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide. Following Lipinski's Rule of Five, 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide is 1341459-52-6.
The molecular formula of 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide is C8H17N3O2.
The molecular weight of 4-((1-Amino-1-oxobutan-2-yl)amino)butanamide is 187.13208 g/mol.
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