TL;DR: (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid (CAS 143805-98-5) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid
Also Known As: (2S)-2-[(2-chlorophenyl)formamido]-3-methylbutanoic acid, (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid, 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoic Acid, (2S)-2-[(2-chlorophenyl)formamido]-3-methylbutanoicacid
| Molecular Formula | C12H14ClNO3 |
| Molecular Weight | 255.06622 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1Cl |
| InChIKey | ATYBZNXCZXTMOA-JTQLQIEISA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic 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 (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid is 143805-98-5.
The molecular formula of (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid is C12H14ClNO3.
The molecular weight of (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoic acid is 255.06622 g/mol.
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