TL;DR: (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid (CAS 1308925-09-8) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid
Also Known As: starbld0031847, (4-(tert-Butyl)benzoyl)-D-alanine, (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid, rel-(2R)-2-[(4-tert-butylphenyl)formamido]propanoic acid, (2R)-2-[(4-tert-butylphenyl)formamido]propanoic acid
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| SMILES | C[C@H](C(=O)O)NC(=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | KGSUAYOKUTTZHA-SECBINFHSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid. Following Lipinski's Rule of Five, (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid is 1308925-09-8.
The molecular formula of (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid is C14H19NO3.
The molecular weight of (2R)-2-[(4-tert-butylbenzoyl)amino]propanoic acid is 249.13649 g/mol.
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