2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate

C12H21NO3 — CID 106203049

IUPAC2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC1(OCC(=O)OCCC2CCC2)CNC1
InChIInChI=1S/C12H21NO3/c1-12(8-13-9-12)16-7-11(14)15-6-5-10-3-2-4-10/h10,13H,2-9H2,1H3
InChIKeyPJGMTKAWULKDKQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds6

About 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate

2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate (PubChem CID 106203049) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate.

Molecular Properties

Compound Name2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
PubChem CID106203049
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC1(OCC(=O)OCCC2CCC2)CNC1
InChIInChI=1S/C12H21NO3/c1-12(8-13-9-12)16-7-11(14)15-6-5-10-3-2-4-10/h10,13H,2-9H2,1H3
InChIKeyPJGMTKAWULKDKQ-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658378
4-methylpentyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658404
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397
N-(cyclohexylmethyl)-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611081
2-cyclobutylethyl 2-sulfanylacetate
CID 106208012
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
bis(2-cyclopentylethyl) propanedioate
CID 67140627
3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658427
N-cyclopentyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylpropyl)acetamide
CID 102611361
2-cyclopentylethyl butanoate
CID 142409115
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-(3-methylazetidin-3-yl)oxy-N-[(4-methylcyclohexyl)methyl]acetamide
CID 102656184

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The IUPAC name of 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate (CID 106203049) is 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate.
What is the SMILES notation for 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The canonical SMILES for 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate is CC1(OCC(=O)OCCC2CCC2)CNC1.
What is the InChIKey of 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The InChIKey is PJGMTKAWULKDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(8-13-9-12)16-7-11(14)15-6-5-10-3-2-4-10/h10,13H,2-9H2,1H3.
What are the key properties of 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate?
2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate is sourced from PubChem (CID 106203049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).