TL;DR: (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid (CAS 1334509-60-2) is a chemical compound with molecular formula C10H17NO4 and molecular weight 215.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
Also Known As: 4-tert-Butoxycarbonylamino-pent-2-enoic acid, 4-tert-Butoxycarbonylamino-pent-2-enoicacid, (E)-4-((Tert-butoxycarbonyl)amino)pent-2-enoic acid, 4-{[(tert-butoxy)carbonyl]amino}pent-2-enoic acid, J1.511.309J
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.11575 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.11575 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CC(/C=C/C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | SAPXWJIRFYUGTP-AATRIKPKSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid is 1334509-60-2.
The molecular formula of (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid is C10H17NO4.
The molecular weight of (2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid is 215.11575 g/mol.
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