4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate

C20H28NO10- — CID 142859189

About 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate

4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate (PubChem CID 142859189) has the molecular formula C20H28NO10- and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate.

Molecular Properties

• Compound Name: 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate
• PubChem CID: 142859189
• Molecular Formula: C20H28NO10-
• Molecular Weight: 442.44 g/mol
• Exact Mass: 442.17
• IUPAC Name: 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate
• SMILES: CC(C)(CCOC(C)(C)C(=O)CCC(=O)ON1C(=O)CCC1=O)OC(=O)CCC(=O)[O-]
• InChI: InChI=1S/C20H29NO10/c1-19(2,30-17(27)10-8-16(25)26)11-12-29-20(3,4)13(22)5-9-18(28)31-21-14(23)6-7-15(21)24/h5-12H2,1-4H3,(H,25,26)/p-1
• InChIKey: IFIKCRASCAAFJL-UHFFFAOYSA-M
• XLogP: -0.02
• TPSA: 156.41 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.44
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate?

The IUPAC name of 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate (CID 142859189) is 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate.

What is the SMILES notation for 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate?

The canonical SMILES for 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate is CC(C)(CCOC(C)(C)C(=O)CCC(=O)ON1C(=O)CCC1=O)OC(=O)CCC(=O)[O-].

What is the InChIKey of 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate?

The InChIKey is IFIKCRASCAAFJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H29NO10/c1-19(2,30-17(27)10-8-16(25)26)11-12-29-20(3,4)13(22)5-9-18(28)31-21-14(23)6-7-15(21)24/h5-12H2,1-4H3,(H,25,26)/p-1.

What are the key properties of 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate?

4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate has a molecular weight of 442.44 g/mol, XLogP of -0.02, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate is sourced from PubChem (CID 142859189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).