TL;DR: N-(2-methylacryloyl)tyrosine (CAS 118605-48-4) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)-2-(2-methylprop-2-enoylamino)propanoic acid
Also Known As: N-(2-methylacryloyl)tyrosine, 3-(4-hydroxyphenyl)-2-(2-methylprop-2-enoylamino)propanoic Acid, L-Tyrosine, N-(2-methyl-1-oxo-2-propenyl)-, tyrosine, N-(2-methyl-1-oxo-2-propen-1-yl)-, (S)-3-(4-hydroxyphenyl)-2-methacrylamidopropanoic acid
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.10011 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | CC(=C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O |
| InChIKey | XVNAZUFERTUUAU-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methylacryloyl)tyrosine. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methylacryloyl)tyrosine. Following Lipinski's Rule of Five, N-(2-methylacryloyl)tyrosine 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 N-(2-methylacryloyl)tyrosine is 118605-48-4.
The molecular formula of N-(2-methylacryloyl)tyrosine is C13H15NO4.
The molecular weight of N-(2-methylacryloyl)tyrosine is 249.10011 g/mol.
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