2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid

C10H15NO4 — CID 78969508

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-3-10(4-2,9(14)15)11-7(12)5-6-8(11)13/h3-6H2,1-2H3,(H,14,15)
InChIKeySFZOUMCMIBENNO-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.78
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid (PubChem CID 78969508) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
PubChem CID78969508
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-3-10(4-2,9(14)15)11-7(12)5-6-8(11)13/h3-6H2,1-2H3,(H,14,15)
InChIKeySFZOUMCMIBENNO-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid (CID 78969508) is 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid is CCC(CC)(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid?
The InChIKey is SFZOUMCMIBENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-10(4-2,9(14)15)11-7(12)5-6-8(11)13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid is sourced from PubChem (CID 78969508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).