TL;DR: (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid (CAS 117391-53-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-amino-3-(4-propan-2-ylphenyl)propanoic acid
Also Known As: Bionet2_001361, (R)-b-Amino-4-(1-methylethyl)benzenepropanoic acid, 3-amino-3-(4-isopropylphenyl)propanoic acid, (3R)-3-AMINO-3-[4-(METHYLETHYL)PHENYL]PROPANOIC ACID, (3R)-3-azaniumyl-3-(4-isopropylphenyl)propanoate
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
| SMILES | CC(C)C1=CC=C(C=C1)[C@@H](CC(=O)O)N |
| InChIKey | XRDCVKSGZNDEDT-LLVKDONJSA-N |
The XLogP value of -0.2 indicates that (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid is 117391-53-4.
The molecular formula of (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid is C12H17NO2.
The molecular weight of (3R)-3-Amino-3-[4-(methylethyl)phenyl]propanoic acid is 207.12593 g/mol.
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