3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid

C10H15NO4 — CID 65298317

IUPAC3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C10H15NO4/c1-6(4-8(13)14)11-7(12)5-10(2,3)9(11)15/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFGESXYGDRJMOIT-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.63
Rot. Bonds3

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

3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid (PubChem CID 65298317) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
PubChem CID65298317
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C10H15NO4/c1-6(4-8(13)14)11-7(12)5-10(2,3)9(11)15/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyFGESXYGDRJMOIT-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid (CID 65298317) is 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid is CC(CC(=O)O)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The InChIKey is FGESXYGDRJMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(4-8(13)14)11-7(12)5-10(2,3)9(11)15/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 65298317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).