4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid

C11H15NO4 — CID 175497291

IUPAC4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid
SMILESO=C1CCN(C(CCC2CC2)C(=O)O)C1=O
InChIInChI=1S/C11H15NO4/c13-9-5-6-12(10(9)14)8(11(15)16)4-3-7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyIAUBDTIHXLTFKE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.43
Rot. Bonds5

About 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid

4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid (PubChem CID 175497291) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid
PubChem CID175497291
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid
SMILESO=C1CCN(C(CCC2CC2)C(=O)O)C1=O
InChIInChI=1S/C11H15NO4/c13-9-5-6-12(10(9)14)8(11(15)16)4-3-7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyIAUBDTIHXLTFKE-UHFFFAOYSA-N
XLogP0.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid 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 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid (CID 175497291) is 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid is O=C1CCN(C(CCC2CC2)C(=O)O)C1=O.
What is the InChIKey of 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid?
The InChIKey is IAUBDTIHXLTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9-5-6-12(10(9)14)8(11(15)16)4-3-7-1-2-7/h7-8H,1-6H2,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid?
4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,3-dioxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 175497291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).