methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate

C18H24FNO5 — CID 170564432

IUPACmethyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate
SMILESCOC(=O)c1cc(F)ccc1OCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H24FNO5/c1-17(2,3)25-16(22)20-18(8-5-9-18)11-24-14-7-6-12(19)10-13(14)15(21)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,22)
InChIKeyZHUNWUCZIVHXFR-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.44
Rot. Bonds5

About methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate

methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate (PubChem CID 170564432) has the molecular formula C18H24FNO5 and a molecular weight of 353.39 g/mol. Its IUPAC name is methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate
PubChem CID170564432
Molecular FormulaC18H24FNO5
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Namemethyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate
SMILESCOC(=O)c1cc(F)ccc1OCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H24FNO5/c1-17(2,3)25-16(22)20-18(8-5-9-18)11-24-14-7-6-12(19)10-13(14)15(21)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,22)
InChIKeyZHUNWUCZIVHXFR-UHFFFAOYSA-N
XLogP3.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate with MolForge

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Related Compounds

tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate
CID 66671985
tert-butyl N-[1-[(4-bromo-2,5-difluorophenoxy)methyl]cyclopropyl]carbamate
CID 164606981
tert-butyl N-[1-[(3-amino-2-cyanophenoxy)methyl]cyclobutyl]carbamate
CID 90372614
methyl 5-fluoro-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]benzoate
CID 58542051
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
methyl 5-fluoro-2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304559
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
tert-butyl N-[1-[(4-iodo-3,5-dimethylphenoxy)methyl]cyclopropyl]carbamate
CID 164607130
tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 113424463
tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
CID 156861889
methyl 4-fluoro-2-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoate
CID 175760686

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate?
The IUPAC name of methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate (CID 170564432) is methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate is COC(=O)c1cc(F)ccc1OCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate?
The InChIKey is ZHUNWUCZIVHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO5/c1-17(2,3)25-16(22)20-18(8-5-9-18)11-24-14-7-6-12(19)10-13(14)15(21)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,22).
What are the key properties of methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate?
methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate has a molecular weight of 353.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate is sourced from PubChem (CID 170564432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).