tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate

C13H23NO4 — CID 155891545

IUPACtert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC1(O)CCOC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H23NO4/c1-11(2,3)18-10(15)14-8-13(9-14)7-12(4,16)5-6-17-13/h16H,5-9H2,1-4H3
InChIKeyXCQBMVYTCOUVCZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.54
Rot. Bonds

About tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 155891545) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID155891545
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC1(O)CCOC2(CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H23NO4/c1-11(2,3)18-10(15)14-8-13(9-14)7-12(4,16)5-6-17-13/h16H,5-9H2,1-4H3
InChIKeyXCQBMVYTCOUVCZ-UHFFFAOYSA-N
XLogP1.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 170986746
tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
(8S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-1,9-dioxa-6-azaspiro[3.6]decane-8-carboxylic acid
CID 171841249
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 134231147
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 75485633
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 71762894

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 155891545) is tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate is CC1(O)CCOC2(CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is XCQBMVYTCOUVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-11(2,3)18-10(15)14-8-13(9-14)7-12(4,16)5-6-17-13/h16H,5-9H2,1-4H3.
What are the key properties of tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 155891545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).