Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C₃₀H₅₂N₂O₁₀ — CID 159916862

About Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 159916862) has the molecular formula C₃₀H₅₂N₂O₁₀ and a molecular weight of 600.75 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 159916862
• Molecular Formula: C₃₀H₅₂N₂O₁₀
• Molecular Weight: 600.75 g/mol
• Exact Mass: 600.36
• IUPAC Name: tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(O)C1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(O)C1
• InChI: InChI=1S/C15H27NO5.C15H25NO5/c2*1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h10-11,17H,7-9H2,1-6H3;7-8,10-11,17H,9H2,1-6H3
• InChIKey: NXWXLKWUYPVFFB-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 152.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.75
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 159916862) is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(O)C1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CCC(O)C1.

What is the InChIKey of Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is NXWXLKWUYPVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5.C15H25NO5/c2*1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h10-11,17H,7-9H2,1-6H3;7-8,10-11,17H,9H2,1-6H3.

What are the key properties of Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 600.75 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(3-hydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 159916862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159916862 — identifiers, structure, computed properties (public domain)

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