tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C18H25FN2O5 — CID 118665451

IUPACtert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1=C(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C[C@H]3F)C2=O)COC1=O
InChIInChI=1S/C18H25FN2O5/c1-11-12(10-25-14(11)22)21-8-6-18(15(21)23)5-7-20(9-13(18)19)16(24)26-17(2,3)4/h13H,5-10H2,1-4H3/t13-,18+/m1/s1
InChIKeyALBWRRHELUFSEF-ACJLOTCBSA-N
MW368.41 g/mol
LogP2.01
Rot. Bonds1

About tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 118665451) has the molecular formula C18H25FN2O5 and a molecular weight of 368.41 g/mol. Its IUPAC name is tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID118665451
Molecular FormulaC18H25FN2O5
Molecular Weight368.41 g/mol
Exact Mass368.17
IUPAC Nametert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC1=C(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C[C@H]3F)C2=O)COC1=O
InChIInChI=1S/C18H25FN2O5/c1-11-12(10-25-14(11)22)21-8-6-18(15(21)23)5-7-20(9-13(18)19)16(24)26-17(2,3)4/h13H,5-10H2,1-4H3/t13-,18+/m1/s1
InChIKeyALBWRRHELUFSEF-ACJLOTCBSA-N
XLogP2.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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 3-fluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320024
tert-butyl 6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90176680
tert-butyl (5R,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 159222803
tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183866
tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 118196951
tert-butyl (3R,4R)-4-cyclopropyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 118668070
tert-butyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate
CID 99770654
tert-butyl (3R,4S)-4-(acetamidomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate
CID 97289992
3,3-diethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
CID 135212214
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 118665451) is tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC1=C(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C[C@H]3F)C2=O)COC1=O.
What is the InChIKey of tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ALBWRRHELUFSEF-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H25FN2O5/c1-11-12(10-25-14(11)22)21-8-6-18(15(21)23)5-7-20(9-13(18)19)16(24)26-17(2,3)4/h13H,5-10H2,1-4H3/t13-,18+/m1/s1.
What are the key properties of tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6S)-6-fluoro-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 118665451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).