[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate

C13H21NO4 — CID 67963920

IUPAC[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate
SMILESCCCC(=O)OC1CC(=O)N1C(=O)C(C)(C)CC
InChIInChI=1S/C13H21NO4/c1-5-7-11(16)18-10-8-9(15)14(10)12(17)13(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyVWTKGAZTPLKCLT-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.85
Rot. Bonds5

About [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate

[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate (PubChem CID 67963920) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate.

Molecular Properties

Compound Name[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate
PubChem CID67963920
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate
SMILESCCCC(=O)OC1CC(=O)N1C(=O)C(C)(C)CC
InChIInChI=1S/C13H21NO4/c1-5-7-11(16)18-10-8-9(15)14(10)12(17)13(3,4)6-2/h10H,5-8H2,1-4H3
InChIKeyVWTKGAZTPLKCLT-UHFFFAOYSA-N
XLogP1.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate 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 [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate?
The IUPAC name of [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate (CID 67963920) is [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate.
What is the SMILES notation for [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate?
The canonical SMILES for [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate is CCCC(=O)OC1CC(=O)N1C(=O)C(C)(C)CC.
What is the InChIKey of [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate?
The InChIKey is VWTKGAZTPLKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-5-7-11(16)18-10-8-9(15)14(10)12(17)13(3,4)6-2/h10H,5-8H2,1-4H3.
What are the key properties of [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate?
[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate has a molecular weight of 255.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate is sourced from PubChem (CID 67963920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).