2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate

C₁₆H₂₈N₂O₈ — CID 140985984

About 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate

2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate (PubChem CID 140985984) has the molecular formula C₁₆H₂₈N₂O₈ and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
• PubChem CID: 140985984
• Molecular Formula: C₁₆H₂₈N₂O₈
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.18
• IUPAC Name: 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
• SMILES: CCCC(C)(C)OC(=O)C(=O)NOONC(=O)C(=O)OC(C)(C)CCC
• InChI: InChI=1S/C16H28N2O8/c1-7-9-15(3,4)23-13(21)11(19)17-25-26-18-12(20)14(22)24-16(5,6)10-8-2/h7-10H2,1-6H3,(H,17,19)(H,18,20)
• InChIKey: OGAJFNCZEDMWNL-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 129.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?

The IUPAC name of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate (CID 140985984) is 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate.

What is the SMILES notation for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?

The canonical SMILES for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate is CCCC(C)(C)OC(=O)C(=O)NOONC(=O)C(=O)OC(C)(C)CCC.

What is the InChIKey of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?

The InChIKey is OGAJFNCZEDMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O8/c1-7-9-15(3,4)23-13(21)11(19)17-25-26-18-12(20)14(22)24-16(5,6)10-8-2/h7-10H2,1-6H3,(H,17,19)(H,18,20).

What are the key properties of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?

2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate has a molecular weight of 376.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate is sourced from PubChem (CID 140985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140985984 — identifiers, structure, computed properties (public domain)

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