TL;DR: (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid (CAS 111727-88-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid
Also Known As: 2-(4-(hydroxymethyl)benzamido)propanoic acid, (2R)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic Acid, (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CO |
| InChIKey | GDCDHVBHYJUAQG-ZETCQYMHSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid has 3 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 (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is 111727-88-9.
The molecular formula of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is C11H13NO4.
The molecular weight of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is 223.08446 g/mol.
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