TL;DR: 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid (CAS 143567-11-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-Phe(3-Me)-OH, BOC-L-3-Methylphe, starbld0020544, BOC-D-3-METHYLPHE, Boc-3-methyl-L-phenylalanine
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.14706 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.14706 Da |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
| SMILES | CC1=CC(=CC=C1)CC(C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | HBBXWMALJNZDOM-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid. Following Lipinski's Rule of Five, 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid has 2 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 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid is 143567-11-7.
The molecular formula of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid is C15H21NO4.
The molecular weight of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid is 279.14706 g/mol.
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