(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate

C18H24N2O7 — CID 134213114

About (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate

(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate (PubChem CID 134213114) has the molecular formula C18H24N2O7 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
• PubChem CID: 134213114
• Molecular Formula: C18H24N2O7
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
• SMILES: CC(C)(CCN1C(=O)C=CC1=O)OCC(C)(C)C(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C18H24N2O7/c1-17(2,16(25)27-20-14(23)7-8-15(20)24)11-26-18(3,4)9-10-19-12(21)5-6-13(19)22/h5-6H,7-11H2,1-4H3
• InChIKey: OCVLZJXXXPCNRM-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 110.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate (CID 134213114) is (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate is CC(C)(CCN1C(=O)C=CC1=O)OCC(C)(C)C(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate?

The InChIKey is OCVLZJXXXPCNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7/c1-17(2,16(25)27-20-14(23)7-8-15(20)24)11-26-18(3,4)9-10-19-12(21)5-6-13(19)22/h5-6H,7-11H2,1-4H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate has a molecular weight of 380.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 134213114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).