2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate

C12H21NO3 — CID 162414642

IUPAC2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCN1C(=O)CC1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)10(15)16-7-6-13-9(14)8-12(13,4)5/h6-8H2,1-5H3
InChIKeyUMGDSHSQBGIMQS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds3

About 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate

2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate (PubChem CID 162414642) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
PubChem CID162414642
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCN1C(=O)CC1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)10(15)16-7-6-13-9(14)8-12(13,4)5/h6-8H2,1-5H3
InChIKeyUMGDSHSQBGIMQS-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
Ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate
CID 134957503
Methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
CID 23566499
(1,3,3-Trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
CID 59933630
2-(2-Oxoazetidin-1-yl)propyl butanoate
CID 70410410
ethyl (2S)-1-tert-butyl-3,3-dimethyl-4-oxoazetidine-2-carboxylate
CID 141552524
(1-Acetylazetidin-3-yl) 2,2-dimethylpropanoate
CID 155104622
2-[Butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
CID 155335696
2-(3-Ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate
CID 170016561
4-Methyl-1-[2-(2-methylpropoxy)ethyl]azetidin-2-one
CID 177737511
Methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate
CID 24814802

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate (CID 162414642) is 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCN1C(=O)CC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate?
The InChIKey is UMGDSHSQBGIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)10(15)16-7-6-13-9(14)8-12(13,4)5/h6-8H2,1-5H3.
What are the key properties of 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate?
2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 162414642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).