TL;DR: N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine (CAS 1173676-32-8) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.20563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid
Also Known As: N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine, (2R)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid, (R)-4-amino-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-4-oxobutanoic acid
| Molecular Formula | C21H29N3O6 |
| Molecular Weight | 419.20563 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.20563 Da |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@H](CC(=O)N)C(=O)O |
| InChIKey | UACLPYBALYKENK-OAHLLOKOSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine. Following Lipinski's Rule of Five, N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine is 1173676-32-8.
The molecular formula of N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine is C21H29N3O6.
The molecular weight of N~2~-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-D-asparagine is 419.20563 g/mol.
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