TL;DR: (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid (CAS 1173664-46-4) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
Also Known As: (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid, (R)-2-(2-(1H-indol-3-yl)acetamido)-3-methylbutanoic acid, IAV
| Molecular Formula | C15H18N2O3 |
| Molecular Weight | 274.13174 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.13174 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | CC(C)[C@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | AZEGJHGXTSUPPG-CQSZACIVSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid has 3 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-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid is 1173664-46-4.
The molecular formula of (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid is C15H18N2O3.
The molecular weight of (2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid is 274.13174 g/mol.
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