TL;DR: alpha-Ethynyl-alpha,delta-diaminovaleric acid (CAS 111714-49-9) is a chemical compound with molecular formula C7H12N2O2 and molecular weight 156.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-diamino-2-ethynylpentanoic acid
Also Known As: D-Ornithine, 2-ethynyl- (9CI), L-Ornithine, 2-ethynyl- (9CI), 2,5-diamino-2-ethynyl-pentanoic Acid, alpha-ethynyl-alpha,delta-diaminovaleric acid
| Molecular Formula | C7H12N2O2 |
| Molecular Weight | 156.08987 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.08987 Da |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
| SMILES | C#CC(CCCN)(C(=O)O)N |
| InChIKey | JWWZUFCRQMJENK-UHFFFAOYSA-N |
The XLogP value of -3.5 indicates that alpha-Ethynyl-alpha,delta-diaminovaleric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Ethynyl-alpha,delta-diaminovaleric acid. Following Lipinski's Rule of Five, alpha-Ethynyl-alpha,delta-diaminovaleric acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-Ethynyl-alpha,delta-diaminovaleric acid is 111714-49-9.
The molecular formula of alpha-Ethynyl-alpha,delta-diaminovaleric acid is C7H12N2O2.
The molecular weight of alpha-Ethynyl-alpha,delta-diaminovaleric acid is 156.08987 g/mol.
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