(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate

C13H23NO3 — CID 59933630

IUPAC(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1N(C)C(=O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-7-12(2,3)11(16)17-8-9-13(4,5)10(15)14(9)6/h9H,7-8H2,1-6H3
InChIKeySEPNNTHDAFKWFJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds4

About (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate

(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate (PubChem CID 59933630) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
PubChem CID59933630
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1N(C)C(=O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-7-12(2,3)11(16)17-8-9-13(4,5)10(15)14(9)6/h9H,7-8H2,1-6H3
InChIKeySEPNNTHDAFKWFJ-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 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

Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
1-Tert-butyl-4-(ethoxymethyl)azetidin-2-one
CID 135057164
2-(2,2-Dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
CID 162414642
methyl (2S)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-methylbutanoate
CID 178411518
2-(2-Oxoazetidin-1-yl)propyl butanoate
CID 70410410
methyl (2R,3S)-2-(butoxymethyl)-1-methyl-4-oxoazetidine-3-carboxylate
CID 117848237
ethyl (2S)-1-tert-butyl-3,3-dimethyl-4-oxoazetidine-2-carboxylate
CID 141552524
2-(3-Ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate
CID 170016561
Methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]-4-methoxybutanoate
CID 176761330
Methyl 1-(2,2-dimethylpropanoyl)azetidine-2-carboxylate
CID 9990353
(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one
CID 11954512
(4R)-1-butyl-4-(methoxymethyl)azetidin-2-one
CID 143326701

Frequently Asked Questions

What is the IUPAC name of (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate?
The IUPAC name of (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate (CID 59933630) is (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate.
What is the SMILES notation for (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate?
The canonical SMILES for (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC1N(C)C(=O)C1(C)C.
What is the InChIKey of (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate?
The InChIKey is SEPNNTHDAFKWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-7-12(2,3)11(16)17-8-9-13(4,5)10(15)14(9)6/h9H,7-8H2,1-6H3.
What are the key properties of (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate?
(1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59933630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).