tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate

C13H21NO3 — CID 139026509

IUPACtert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
InChIInChI=1S/C13H21NO3/c1-11(2,3)17-10(15)14-7-6-13(9-16-13)8-12(14)4-5-12/h4-9H2,1-3H3
InChIKeyWUTXOEOCKNUDIJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.32
Rot. Bonds

About tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate

tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate (PubChem CID 139026509) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
PubChem CID139026509
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
InChIInChI=1S/C13H21NO3/c1-11(2,3)17-10(15)14-7-6-13(9-16-13)8-12(14)4-5-12/h4-9H2,1-3H3
InChIKeyWUTXOEOCKNUDIJ-UHFFFAOYSA-N
XLogP2.32
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 164648021
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 170917651
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 1-oxa-8-azaspiro[3.4]octane-8-carboxylate
CID 71669234
1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
CID 175669317

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate?
The IUPAC name of tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate (CID 139026509) is tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate.
What is the SMILES notation for tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate?
The canonical SMILES for tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate is CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2.
What is the InChIKey of tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate?
The InChIKey is WUTXOEOCKNUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-11(2,3)17-10(15)14-7-6-13(9-16-13)8-12(14)4-5-12/h4-9H2,1-3H3.
What are the key properties of tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate?
tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate is sourced from PubChem (CID 139026509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).