tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate

C14H21NO4 — CID 58574724

IUPACtert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC12CCC(=O)CC2
InChIInChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-11(17)6-9-14(15)7-4-10(16)5-8-14/h4-9H2,1-3H3
InChIKeyRDQCKKNTWDKBME-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.43
Rot. Bonds

About tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate

tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 58574724) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
PubChem CID58574724
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC12CCC(=O)CC2
InChIInChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-11(17)6-9-14(15)7-4-10(16)5-8-14/h4-9H2,1-3H3
InChIKeyRDQCKKNTWDKBME-UHFFFAOYSA-N
XLogP2.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid
CID 66775083
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
CID 170693343
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347
tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate;trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
CID 158199472
tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
CID 126970299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate (CID 58574724) is tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC12CCC(=O)CC2.
What is the InChIKey of tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is RDQCKKNTWDKBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-11(17)6-9-14(15)7-4-10(16)5-8-14/h4-9H2,1-3H3.
What are the key properties of tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate?
tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 58574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).