TL;DR: (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide (CAS 125009-81-6) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
Also Known As: Trp-NHBn, Trp-NHCH2Ph, l-tryptophan benzylamide, N-Benzyl-L-tryptophanamide, (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C18H19N3O |
| Molecular Weight | 293.1528 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1528 Da |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)N |
| InChIKey | LTLVOJXXQDFIPW-INIZCTEOSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide. Following Lipinski's Rule of Five, (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide is 125009-81-6.
The molecular formula of (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide is C18H19N3O.
The molecular weight of (S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide is 293.1528 g/mol.
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