methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate

C15H20FNO2 — CID 113490114

IUPACmethyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(CC1CCC1)Nc1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(14(18)19-2,10-11-6-5-7-11)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3
InChIKeyMVOFXVFMZZHLFM-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.36
Rot. Bonds5

About methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate

methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate (PubChem CID 113490114) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
PubChem CID113490114
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)(CC1CCC1)Nc1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-15(14(18)19-2,10-11-6-5-7-11)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3
InChIKeyMVOFXVFMZZHLFM-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate (CID 113490114) is methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate is COC(=O)C(C)(CC1CCC1)Nc1ccccc1F.
What is the InChIKey of methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate?
The InChIKey is MVOFXVFMZZHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(14(18)19-2,10-11-6-5-7-11)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3.
What are the key properties of methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate?
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate has a molecular weight of 265.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate is sourced from PubChem (CID 113490114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).