TL;DR: 2-Amino-3-methyl-4-pentynoic acid (CAS 147700-97-8) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-methylpent-4-ynoic acid
Also Known As: 2-amino-3-methylpent-4-ynoic acid, 2-Amino-3-methyl-4-pentynoic acid, 4-Pentynoic acid, 2-amino-3-methyl-, (2S,3S)-
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.06333 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06333 Da |
| Heavy Atoms | 9 |
| Complexity | 156.0 |
| SMILES | CC(C#C)C(C(=O)O)N |
| InChIKey | AMSDVEVGCSHYJE-UHFFFAOYSA-N |
The XLogP value of -2.5 indicates that 2-Amino-3-methyl-4-pentynoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-methyl-4-pentynoic acid. Following Lipinski's Rule of Five, 2-Amino-3-methyl-4-pentynoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-3-methyl-4-pentynoic acid is 147700-97-8.
The molecular formula of 2-Amino-3-methyl-4-pentynoic acid is C6H9NO2.
The molecular weight of 2-Amino-3-methyl-4-pentynoic acid is 127.06333 g/mol.
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