TL;DR: 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid (CAS 1194790-95-8) 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.
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Also Known As: Boc-D-Allylglycine, 2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, Boc-l-beta-alg, L-Boc-Allylglycine, Boc-DL-Allylglycine
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.11575 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 215.11575 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC=C)C(=O)O |
| InChIKey | BUPDPLXLAKNJMI-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid. Following Lipinski's Rule of Five, 2-{[(Tert-butoxy)carbonyl]amino}pent-4-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 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid is 1194790-95-8.
The molecular formula of 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid is C10H17NO4.
The molecular weight of 2-{[(Tert-butoxy)carbonyl]amino}pent-4-enoic acid is 215.11575 g/mol.
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