cyclobutyl 2-(methylamino)benzoate

C12H15NO2 — CID 62217404

IUPACcyclobutyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCC1
InChIInChI=1S/C12H15NO2/c1-13-11-8-3-2-7-10(11)12(14)15-9-5-4-6-9/h2-3,7-9,13H,4-6H2,1H3
InChIKeyZNIXRNQUUXJSBC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.44
Rot. Bonds3

About cyclobutyl 2-(methylamino)benzoate

cyclobutyl 2-(methylamino)benzoate (PubChem CID 62217404) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is cyclobutyl 2-(methylamino)benzoate.

Molecular Properties

Compound Namecyclobutyl 2-(methylamino)benzoate
PubChem CID62217404
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namecyclobutyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCC1
InChIInChI=1S/C12H15NO2/c1-13-11-8-3-2-7-10(11)12(14)15-9-5-4-6-9/h2-3,7-9,13H,4-6H2,1H3
InChIKeyZNIXRNQUUXJSBC-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclohexyl 2-(methylamino)benzoate
CID 61278808
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
CID 64731834
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
phosphanyl 2-(methylamino)benzoate
CID 174258583
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
2-cyclopentyloxy-N-methylaniline
CID 130903637
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
CID 172922980
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-(methylamino)benzoate?
The IUPAC name of cyclobutyl 2-(methylamino)benzoate (CID 62217404) is cyclobutyl 2-(methylamino)benzoate.
What is the SMILES notation for cyclobutyl 2-(methylamino)benzoate?
The canonical SMILES for cyclobutyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 2-(methylamino)benzoate?
The InChIKey is ZNIXRNQUUXJSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-11-8-3-2-7-10(11)12(14)15-9-5-4-6-9/h2-3,7-9,13H,4-6H2,1H3.
What are the key properties of cyclobutyl 2-(methylamino)benzoate?
cyclobutyl 2-(methylamino)benzoate has a molecular weight of 205.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-(methylamino)benzoate is sourced from PubChem (CID 62217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).