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

C10H19NO3 — CID 102658378

IUPACbutyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCCCCOC(=O)COC1(C)CNC1
InChIInChI=1S/C10H19NO3/c1-3-4-5-13-9(12)6-14-10(2)7-11-8-10/h11H,3-8H2,1-2H3
InChIKeyGVFAUIWVRXBMDL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds6

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

butyl 2-(3-methylazetidin-3-yl)oxyacetate (PubChem CID 102658378) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl 2-(3-methylazetidin-3-yl)oxyacetate.

Molecular Properties

Compound Namebutyl 2-(3-methylazetidin-3-yl)oxyacetate
PubChem CID102658378
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl 2-(3-methylazetidin-3-yl)oxyacetate
SMILESCCCCOC(=O)COC1(C)CNC1
InChIInChI=1S/C10H19NO3/c1-3-4-5-13-9(12)6-14-10(2)7-11-8-10/h11H,3-8H2,1-2H3
InChIKeyGVFAUIWVRXBMDL-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylpentyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658404
2-cyclobutylethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 106203049
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
butyl 3-methylazetidine-3-carboxylate
CID 174909685
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
N-(1-methoxypentan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656234
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
butyl 2-methanidyloxyacetate;rutherfordium
CID 155657474
dibutyl hex-3-ynedioate
CID 87458228
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-methylazetidin-3-yl)oxyacetate?
The IUPAC name of butyl 2-(3-methylazetidin-3-yl)oxyacetate (CID 102658378) is butyl 2-(3-methylazetidin-3-yl)oxyacetate.
What is the SMILES notation for butyl 2-(3-methylazetidin-3-yl)oxyacetate?
The canonical SMILES for butyl 2-(3-methylazetidin-3-yl)oxyacetate is CCCCOC(=O)COC1(C)CNC1.
What is the InChIKey of butyl 2-(3-methylazetidin-3-yl)oxyacetate?
The InChIKey is GVFAUIWVRXBMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-13-9(12)6-14-10(2)7-11-8-10/h11H,3-8H2,1-2H3.
What are the key properties of butyl 2-(3-methylazetidin-3-yl)oxyacetate?
butyl 2-(3-methylazetidin-3-yl)oxyacetate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-methylazetidin-3-yl)oxyacetate is sourced from PubChem (CID 102658378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).