tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C18H27FN2O4 — CID 118196951

IUPACtert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(C1=C(F)C(=O)OC1)CC2
InChIInChI=1S/C18H27FN2O4/c1-17(2,3)25-16(23)21-10-6-18(7-11-21)4-8-20(9-5-18)13-12-24-15(22)14(13)19/h4-12H2,1-3H3
InChIKeyAGIAADXHCFYBBI-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 118196951) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID118196951
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC Nametert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(C1=C(F)C(=O)OC1)CC2
InChIInChI=1S/C18H27FN2O4/c1-17(2,3)25-16(23)21-10-6-18(7-11-21)4-8-20(9-5-18)13-12-24-15(22)14(13)19/h4-12H2,1-3H3
InChIKeyAGIAADXHCFYBBI-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-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

tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 130449344
tert-butyl (6R)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 130449338
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 10-sulfanylidene-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 167205373
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 118196951) is tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C1=C(F)C(=O)OC1)CC2.
What is the InChIKey of tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is AGIAADXHCFYBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4/c1-17(2,3)25-16(23)21-10-6-18(7-11-21)4-8-20(9-5-18)13-12-24-15(22)14(13)19/h4-12H2,1-3H3.
What are the key properties of tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 354.42 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 118196951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).