TL;DR: alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid (CAS 1521-04-6) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propaneperoxoic acid
Also Known As: 2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propaneperoxoic acid, alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid, 1H-Indole-3-propanoic acid, alpha-amino-2,3-dihydro-3-hydroxy-2-oxo-, 2-Amino-3-(2-hydroxy-3H-indol-3-yl)propaneperoxoic acid, 2-amino-3-(2-oxo-2,3-dihydro-1h-indol-3-yl)propaneperoxoic acid
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.07971 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2)CC(C(=O)OO)N |
| InChIKey | MOEVZOFHBZAOOC-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid. Following Lipinski's Rule of Five, alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid has 3 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 alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid is 1521-04-6.
The molecular formula of alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid is C11H12N2O4.
The molecular weight of alpha-Amino-2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-propanoic acid is 236.07971 g/mol.
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