methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate

C12H19NO3 — CID 115184517

IUPACmethyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCC2CCC2)CC1
InChIInChI=1S/C12H19NO3/c1-16-11(15)12(6-7-12)10(14)13-8-5-9-3-2-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyAZVWQPTXMPCRFA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.25
Rot. Bonds5

About methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate

methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 115184517) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID115184517
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)NCCC2CCC2)CC1
InChIInChI=1S/C12H19NO3/c1-16-11(15)12(6-7-12)10(14)13-8-5-9-3-2-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyAZVWQPTXMPCRFA-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-cyclohexylethylcarbamoyl)cyclopropane-1-carboxylate
CID 115184511
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523
1-amino-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 81179239
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
methyl 3-(2-cyclopentylethylamino)-3-oxopropanoate
CID 115174490
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
methyl 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylate
CID 56874430

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate (CID 115184517) is methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate is COC(=O)C1(C(=O)NCCC2CCC2)CC1.
What is the InChIKey of methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is AZVWQPTXMPCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-16-11(15)12(6-7-12)10(14)13-8-5-9-3-2-4-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate?
methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclobutylethylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115184517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).