TL;DR: Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- (CAS 109371-13-3) is a chemical compound with molecular formula C5H13N2O4P and molecular weight 196.0613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-aminopropanoylamino)ethylphosphonic acid
Also Known As: (2-((2-Amino-1-oxopropyl)amino)ethyl)phosphonic acid, Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)-, [2-(2-aminopropanamido)ethyl]phosphonic acid, 2-(2-aminopropanoylamino)ethylphosphonic acid, beta-(alpha-Aminoethyl)-carbamoyl-ethylphosphonic acid
| Molecular Formula | C5H13N2O4P |
| Molecular Weight | 196.0613 g/mol |
| XLogP | -5.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0613 Da |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
| SMILES | CC(C(=O)NCCP(=O)(O)O)N |
| InChIKey | NUWKXSPWLLPBOA-UHFFFAOYSA-N |
The XLogP value of -5.1 indicates that Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)-. Following Lipinski's Rule of Five, Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- has 4 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 Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- is 109371-13-3.
The molecular formula of Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- is C5H13N2O4P.
The molecular weight of Phosphonic acid, (2-((2-amino-1-oxopropyl)amino)ethyl)- is 196.0613 g/mol.
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