TL;DR: (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester (CAS 1356354-32-9) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
Also Known As: 2S-[(1-Carboxyethyl)amino]-benzenebutanoic Acid Methyl Ester, (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester, AS)-, A-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester, A-[(1-Carboxyethyl)amino]-benzenebutanoic Acid
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.1314 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.1314 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | C[C@@H](C(=O)O)N[C@@H](CCC1=CC=CC=C1)C(=O)OC |
| InChIKey | HUNRUXGZJNTAJK-JQWIXIFHSA-N |
The XLogP value of -0.2 indicates that (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester. Following Lipinski's Rule of Five, (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester is 1356354-32-9.
The molecular formula of (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester is C14H19NO4.
The molecular weight of (AlphaS)-Alpha-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid 1-Methyl Ester is 265.1314 g/mol.
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