TL;DR: alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid (CAS 117571-54-7) is a chemical compound with molecular formula C11H22NO5P and molecular weight 279.12357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Also Known As: Gpi 3000, Npc 12626, Npc 17742, Cyclohexanepropanoic acid, alpha-amino-2-(2-phosphonoethyl)-, 2-amino-3-[2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H22NO5P |
| Molecular Weight | 279.12357 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.12357 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | C1CCC(C(C1)CCP(=O)(O)O)CC(C(=O)O)N |
| InChIKey | DHJQWBSZKBDBFP-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic 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 alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid. Following Lipinski's Rule of Five, alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic 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 alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid is 117571-54-7.
The molecular formula of alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid is C11H22NO5P.
The molecular weight of alpha-Amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid is 279.12357 g/mol.
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