2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid

C10H15NO4 — CID 63644827

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)8(9(14)15)11-6(12)4-5-7(11)13/h8H,4-5H2,1-3H3,(H,14,15)
InChIKeyTWERTHBZLGFCII-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.63
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid (PubChem CID 63644827) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
PubChem CID63644827
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-10(2,3)8(9(14)15)11-6(12)4-5-7(11)13/h8H,4-5H2,1-3H3,(H,14,15)
InChIKeyTWERTHBZLGFCII-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.63
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)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid (CID 63644827) is 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid?
The InChIKey is TWERTHBZLGFCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)8(9(14)15)11-6(12)4-5-7(11)13/h8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.63, 2 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)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 63644827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).