tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate

C20H30N2O5 — CID 130449344

IUPACtert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
SMILESCC1=C(N2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)CC3)C2=O)COC1=O
InChIInChI=1S/C20H30N2O5/c1-14-15(13-26-16(14)23)22-11-6-8-20(17(22)24)7-5-10-21(12-9-20)18(25)27-19(2,3)4/h5-13H2,1-4H3/t20-/m1/s1
InChIKeyAHKGOUVSIZUUBT-HXUWFJFHSA-N
MW378.47 g/mol
LogP2.85
Rot. Bonds1

About tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate

tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate (PubChem CID 130449344) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
PubChem CID130449344
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Nametert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate
SMILESCC1=C(N2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)CC3)C2=O)COC1=O
InChIInChI=1S/C20H30N2O5/c1-14-15(13-26-16(14)23)22-11-6-8-20(17(22)24)7-5-10-21(12-9-20)18(25)27-19(2,3)4/h5-13H2,1-4H3/t20-/m1/s1
InChIKeyAHKGOUVSIZUUBT-HXUWFJFHSA-N
XLogP2.85
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate with MolForge

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Related Compounds

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 (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
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 9-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 118196951
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 9-methyl-11-oxo-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 177462092
tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 2-(2-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709471

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate?
The IUPAC name of tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate (CID 130449344) is tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate.
What is the SMILES notation for tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate?
The canonical SMILES for tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate is CC1=C(N2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)CC3)C2=O)COC1=O.
What is the InChIKey of tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate?
The InChIKey is AHKGOUVSIZUUBT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14-15(13-26-16(14)23)22-11-6-8-20(17(22)24)7-5-10-21(12-9-20)18(25)27-19(2,3)4/h5-13H2,1-4H3/t20-/m1/s1.
What are the key properties of tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate?
tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2,10-diazaspiro[5.6]dodecane-10-carboxylate is sourced from PubChem (CID 130449344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).