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

C11H21NO3 — CID 102658427

IUPAC3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC(C)C(C)OC(=O)COC1(C)CNC1
InChIInChI=1S/C11H21NO3/c1-8(2)9(3)15-10(13)5-14-11(4)6-12-7-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNZCZEDCSYCQELQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

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

3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate (PubChem CID 102658427) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate.

Molecular Properties

Compound Name3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate
PubChem CID102658427
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCC(C)C(C)OC(=O)COC1(C)CNC1
InChIInChI=1S/C11H21NO3/c1-8(2)9(3)15-10(13)5-14-11(4)6-12-7-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNZCZEDCSYCQELQ-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate?
The IUPAC name of 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate (CID 102658427) is 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate.
What is the SMILES notation for 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate?
The canonical SMILES for 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate is CC(C)C(C)OC(=O)COC1(C)CNC1.
What is the InChIKey of 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate?
The InChIKey is NZCZEDCSYCQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)9(3)15-10(13)5-14-11(4)6-12-7-11/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate?
3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl 2-(3-methylazetidin-3-yl)oxyacetate is sourced from PubChem (CID 102658427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).