tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

C15H25NO3 — CID 155891564

IUPACtert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
SMILESCC1(C)CC2(CC(=O)CCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(18)16-7-6-11(17)8-15(16)9-14(4,5)10-15/h6-10H2,1-5H3
InChIKeyCKXANRPALLUDLA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.15
Rot. Bonds

About tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate (PubChem CID 155891564) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
PubChem CID155891564
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
SMILESCC1(C)CC2(CC(=O)CCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(18)16-7-6-11(17)8-15(16)9-14(4,5)10-15/h6-10H2,1-5H3
InChIKeyCKXANRPALLUDLA-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 170907562
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 3-cyano-2,2-dimethyl-4-oxopiperidine-1-carboxylate
CID 176644968
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidine-2-carboxylic acid
CID 126961989
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid
CID 66775083
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 170917651
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
tert-butyl (3Z)-2,2-dimethyl-3-propylidenepyrrolidine-1-carboxylate
CID 170117943

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate (CID 155891564) is tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate is CC1(C)CC2(CC(=O)CCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The InChIKey is CKXANRPALLUDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2,3)19-12(18)16-7-6-11(17)8-15(16)9-14(4,5)10-15/h6-10H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate is sourced from PubChem (CID 155891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).