(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate

C16H20N2O6 — CID 146559517

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate
SMILESCC(C)N1C(=O)C=C(CC(C)(C)C(=O)ON2C(=O)CCC2=O)C1=O
InChIInChI=1S/C16H20N2O6/c1-9(2)17-13(21)7-10(14(17)22)8-16(3,4)15(23)24-18-11(19)5-6-12(18)20/h7,9H,5-6,8H2,1-4H3
InChIKeyWWJWAHBAGTUEOL-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.71
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate

(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate (PubChem CID 146559517) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate
PubChem CID146559517
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate
SMILESCC(C)N1C(=O)C=C(CC(C)(C)C(=O)ON2C(=O)CCC2=O)C1=O
InChIInChI=1S/C16H20N2O6/c1-9(2)17-13(21)7-10(14(17)22)8-16(3,4)15(23)24-18-11(19)5-6-12(18)20/h7,9H,5-6,8H2,1-4H3
InChIKeyWWJWAHBAGTUEOL-UHFFFAOYSA-N
XLogP0.71
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate (CID 146559517) is (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate is CC(C)N1C(=O)C=C(CC(C)(C)C(=O)ON2C(=O)CCC2=O)C1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate?
The InChIKey is WWJWAHBAGTUEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-9(2)17-13(21)7-10(14(17)22)8-16(3,4)15(23)24-18-11(19)5-6-12(18)20/h7,9H,5-6,8H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate has a molecular weight of 336.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 146559517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).