TL;DR: Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester (CAS 15387-45-8) is a chemical compound with molecular formula C16H21N3O7 and molecular weight 367.13794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Also Known As: Boc-D-Gln-ONp, Boc-Gln-ONp, Boc-L-glutamine 4-nitrophenyl ester, 4-nitrophenyl n2-(tert-butoxycarbonyl)glutaminate, I14-3157
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H21N3O7 |
| Molecular Weight | 367.13794 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 367.13794 Da |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
| SMILES | CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | HJMMCTZLXOVMFB-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester. The TPSA of 154.0 Ų indicates high polarity, suggesting Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester is 15387-45-8.
The molecular formula of Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester is C16H21N3O7.
The molecular weight of Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester is 367.13794 g/mol.
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