2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C14H24N2O3 — CID 50983601

IUPAC2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyONBMJYSPUZOIGA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds1

About 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 50983601) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID50983601
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyONBMJYSPUZOIGA-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139013287
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 118385691
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 129349494
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
CID 146625811
2,2-dimethylpropyl 4-tert-butylpiperazine-1-carboxylate
CID 159012212
tert-butyl 3-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate;ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-(3-oxo-2,9-diazaspiro[4.6]undecan-9-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 159196424
2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
CID 121450254
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
CID 95200256

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 50983601) is 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ONBMJYSPUZOIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 50983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).