TL;DR: 2-Amino-4-methyl-5-phosphono-3-pentenoic acid (CAS 137424-81-8) is a chemical compound with molecular formula C6H12NO5P and molecular weight 209.0453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-methyl-5-phosphonopent-3-enoic acid
Also Known As: 4-Methyl-appa, Cgp 37849, Cgp 40116, Cgp 40017, 2-amino-4-methyl-5-phosphonopent-3-enoic acid
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12NO5P |
| Molecular Weight | 209.0453 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0453 Da |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
| SMILES | CC(=CC(C(=O)O)N)CP(=O)(O)O |
| InChIKey | BDYHNCZIGYIOGJ-UHFFFAOYSA-N |
The XLogP value of -4.1 indicates that 2-Amino-4-methyl-5-phosphono-3-pentenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-methyl-5-phosphono-3-pentenoic acid. Following Lipinski's Rule of Five, 2-Amino-4-methyl-5-phosphono-3-pentenoic acid has 4 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-Amino-4-methyl-5-phosphono-3-pentenoic acid is 137424-81-8.
The molecular formula of 2-Amino-4-methyl-5-phosphono-3-pentenoic acid is C6H12NO5P.
The molecular weight of 2-Amino-4-methyl-5-phosphono-3-pentenoic acid is 209.0453 g/mol.
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