TL;DR: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid (CAS 1228549-93-6) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
Also Known As: Boc-(R,S)-3-amino-3-(biphenyl)propionic acid, (R,S)-BOC-3-AMINO-3-(BIPHENYL-4-YL)-PROPIONIC ACID, b-Boc-amino-biphenyl-4-propanoic acid, 4383AH, Boc-3-amino-3-(biphenyl)propionic acid
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.16272 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.16272 Da |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | ZWLSFMKIYINIHZ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid. Following Lipinski's Rule of Five, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)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 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid is 1228549-93-6.
The molecular formula of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid is C20H23NO4.
The molecular weight of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid is 341.16272 g/mol.
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