[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate

C14H21NO6 — CID 67963943

IUPAC[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate
SMILESCCC(=O)OC1CC(=O)N1C(=O)COC(=O)C(C)(C)CC
InChIInChI=1S/C14H21NO6/c1-5-12(18)21-11-7-9(16)15(11)10(17)8-20-13(19)14(3,4)6-2/h11H,5-8H2,1-4H3
InChIKeyPDTQKWVILXGMJE-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.00
Rot. Bonds6

About [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate

[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate (PubChem CID 67963943) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate
PubChem CID67963943
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate
SMILESCCC(=O)OC1CC(=O)N1C(=O)COC(=O)C(C)(C)CC
InChIInChI=1S/C14H21NO6/c1-5-12(18)21-11-7-9(16)15(11)10(17)8-20-13(19)14(3,4)6-2/h11H,5-8H2,1-4H3
InChIKeyPDTQKWVILXGMJE-UHFFFAOYSA-N
XLogP1.00
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,2-dimethylbutanoyl)-4-oxoazetidin-2-yl] butanoate
CID 67963920
[1-(2-tert-butyl-2,4,4-trimethylpentanoyl)-4-oxoazetidin-2-yl] propanoate
CID 90221757
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
[2-[(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 89115462
[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 67473202
[2-(2-adamantyloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 59289706
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 129085463
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
CID 91000884
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580
(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2,2-dimethylbutanoate
CID 149119004
[2-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 71020817

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate (CID 67963943) is [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate is CCC(=O)OC1CC(=O)N1C(=O)COC(=O)C(C)(C)CC.
What is the InChIKey of [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate?
The InChIKey is PDTQKWVILXGMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-5-12(18)21-11-7-9(16)15(11)10(17)8-20-13(19)14(3,4)6-2/h11H,5-8H2,1-4H3.
What are the key properties of [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate?
[2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate has a molecular weight of 299.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-4-propanoyloxyazetidin-1-yl)ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 67963943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).