oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate

C11H19NO4 — CID 102658397

IUPACoxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC1(OCC(=O)OCC2CCCO2)CNC1
InChIInChI=1S/C11H19NO4/c1-11(7-12-8-11)16-6-10(13)15-5-9-3-2-4-14-9/h9,12H,2-8H2,1H3
InChIKeyJXQLLAZELZHACH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.09
Rot. Bonds5

About oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate

oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate (PubChem CID 102658397) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
PubChem CID102658397
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameoxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC1(OCC(=O)OCC2CCCO2)CNC1
InChIInChI=1S/C11H19NO4/c1-11(7-12-8-11)16-6-10(13)15-5-9-3-2-4-14-9/h9,12H,2-8H2,1H3
InChIKeyJXQLLAZELZHACH-UHFFFAOYSA-N
XLogP0.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
CID 102611484
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
CID 63869920
2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 106203049
oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
CID 79274543
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609187
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The IUPAC name of oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate (CID 102658397) is oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate is CC1(OCC(=O)OCC2CCCO2)CNC1.
What is the InChIKey of oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate?
The InChIKey is JXQLLAZELZHACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(7-12-8-11)16-6-10(13)15-5-9-3-2-4-14-9/h9,12H,2-8H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate?
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate has a molecular weight of 229.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate is sourced from PubChem (CID 102658397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).