TL;DR: N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan (CAS 1173687-49-4) is a chemical compound with molecular formula C22H29N3O5 and molecular weight 415.21072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-(1H-indol-3-yl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]propanoic acid
Also Known As: N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan, (S)-2-(1-(tert-butoxycarbonyl)piperidine-4-carboxamido)-3-(1H-indol-3-yl)propanoic acid, (2S)-3-(1H-indol-3-yl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]propanoic acid
| Molecular Formula | C22H29N3O5 |
| Molecular Weight | 415.21072 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.21072 Da |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O |
| InChIKey | KFJLWXCXIXBOBH-SFHVURJKSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan. Following Lipinski's Rule of Five, N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan 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 N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan is 1173687-49-4.
The molecular formula of N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan is C22H29N3O5.
The molecular weight of N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan is 415.21072 g/mol.
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