TL;DR: Amino-5-phosphono-3-pentenoic acid (CAS 118492-04-9) is a chemical compound with molecular formula C5H10NO5P and molecular weight 195.02966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-phosphonopent-3-enoic acid
Also Known As: 2-APPA, amino-5-phosphono-3-pentenoic acid, 2-Amino-5-phosphono-3-pentenoic acid, 3-Pentenoic acid,2-amino-5-phosphono-, (3Z)-, 2-AMINO-5-PHOSPHONOPENT-3-ENOIC ACID
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H10NO5P |
| Molecular Weight | 195.02966 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.02966 Da |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
| SMILES | C(C=CC(C(=O)O)N)P(=O)(O)O |
| InChIKey | TUMOUMLCWZEIRK-UHFFFAOYSA-N |
The XLogP value of -4.7 indicates that Amino-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 Amino-5-phosphono-3-pentenoic acid. Following Lipinski's Rule of Five, Amino-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 Amino-5-phosphono-3-pentenoic acid is 118492-04-9.
The molecular formula of Amino-5-phosphono-3-pentenoic acid is C5H10NO5P.
The molecular weight of Amino-5-phosphono-3-pentenoic acid is 195.02966 g/mol.
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