TL;DR: beta-Hydroxy-alpha-methyl-4-nitrophenylalanine (CAS 1158530-82-5) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanoic acid
Also Known As: beta-hydroxy-alpha-methyl-4-nitrophenylalanine, BAS 00535396, 2-amino-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanoic acid, 2-Amino-3-hydroxy-2-methyl-3-(4-nitro-phenyl)-propionic acid
| Molecular Formula | C10H12N2O5 |
| Molecular Weight | 240.07462 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07462 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| SMILES | CC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)(C(=O)O)N |
| InChIKey | CKVZILNVXVAJQX-UHFFFAOYSA-N |
The XLogP value of -2.5 indicates that beta-Hydroxy-alpha-methyl-4-nitrophenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Hydroxy-alpha-methyl-4-nitrophenylalanine. Following Lipinski's Rule of Five, beta-Hydroxy-alpha-methyl-4-nitrophenylalanine has 3 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 beta-Hydroxy-alpha-methyl-4-nitrophenylalanine is 1158530-82-5.
The molecular formula of beta-Hydroxy-alpha-methyl-4-nitrophenylalanine is C10H12N2O5.
The molecular weight of beta-Hydroxy-alpha-methyl-4-nitrophenylalanine is 240.07462 g/mol.
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