tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate

C16H28N2O3 — CID 143944951

IUPACtert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C16H28N2O3/c1-12-11-18(14(20)21-15(2,3)4)16(13(19)17-12)9-7-5-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyUZUZAEKOSAKLNB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.83
Rot. Bonds

About tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate

tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate (PubChem CID 143944951) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
PubChem CID143944951
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)C2(CCCCCC2)C(=O)N1
InChIInChI=1S/C16H28N2O3/c1-12-11-18(14(20)21-15(2,3)4)16(13(19)17-12)9-7-5-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyUZUZAEKOSAKLNB-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl (1S,6S,7R)-5-oxo-9-azatricyclo[5.2.1.01,6]decane-9-carboxylate
CID 134967784
tert-butyl 3-methyl-4-oxoazepane-1-carboxylate;hydrochloride
CID 133063383
tert-butyl (3S)-3-methyl-5-sulfanylidenepiperazine-1-carboxylate
CID 149061664
tert-butyl 1-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 10735690
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate (CID 143944951) is tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)C2(CCCCCC2)C(=O)N1.
What is the InChIKey of tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The InChIKey is UZUZAEKOSAKLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-11-18(14(20)21-15(2,3)4)16(13(19)17-12)9-7-5-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate is sourced from PubChem (CID 143944951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).