methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate

C13H20O3 — CID 116875046

IUPACmethyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C2(C3CCC3)COC2)CCC1
InChIInChI=1S/C13H20O3/c1-15-11(14)12(6-3-7-12)13(8-16-9-13)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeyOLSBHWQAGKTVGE-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.15
Rot. Bonds3

About methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate

methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate (PubChem CID 116875046) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
PubChem CID116875046
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C2(C3CCC3)COC2)CCC1
InChIInChI=1S/C13H20O3/c1-15-11(14)12(6-3-7-12)13(8-16-9-13)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeyOLSBHWQAGKTVGE-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
methyl 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carboxylate
CID 116875048
methyl 2-cyclopentyloxirane-2-carboxylate
CID 91618657
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
5-methoxycarbonylbicyclo[3.1.0]hexane-1-carboxylic acid
CID 23423440
methyl 3-[[cyclopentyl(methyl)amino]methyl]oxetane-3-carboxylate
CID 115248651
methyl 1-[(6R)-spiro[3-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-6-yl]cyclopropane-1-carboxylate
CID 149406753
methyl 3-(4-oxocyclohexyl)oxetane-3-carboxylate
CID 133054096
methyl 6,8-dioxabicyclo[3.2.1]octane-1-carboxylate
CID 152691642
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate (CID 116875046) is methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate is COC(=O)C1(C2(C3CCC3)COC2)CCC1.
What is the InChIKey of methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate?
The InChIKey is OLSBHWQAGKTVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-15-11(14)12(6-3-7-12)13(8-16-9-13)10-4-2-5-10/h10H,2-9H2,1H3.
What are the key properties of methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate?
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 116875046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).