tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate

C14H26N2O3 — CID 71305747

IUPACtert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-7-8-18-11-14(10-16)5-4-6-15-9-14/h15H,4-11H2,1-3H3
InChIKeyIRHPGRTVYQUDSJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds

About tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate

tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate (PubChem CID 71305747) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
PubChem CID71305747
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-7-8-18-11-14(10-16)5-4-6-15-9-14/h15H,4-11H2,1-3H3
InChIKeyIRHPGRTVYQUDSJ-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
tert-butyl 3,3-difluoro-1,5-diazonane-1-carboxylate
CID 138987888
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
CID 155895331
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
CID 167468562
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
2-[6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
CID 155893559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate?
The IUPAC name of tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate (CID 71305747) is tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate.
What is the SMILES notation for tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate?
The canonical SMILES for tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate is CC(C)(C)OC(=O)N1CCOCC2(CCCNC2)C1.
What is the InChIKey of tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate?
The InChIKey is IRHPGRTVYQUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)19-12(17)16-7-8-18-11-14(10-16)5-4-6-15-9-14/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate?
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate is sourced from PubChem (CID 71305747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).