tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C15H28N2O3 — CID 135237411

IUPACtert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCNC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)11-12(16-4)5-10-19-15/h12,16H,5-11H2,1-4H3
InChIKeyVDMRZSUEWDCTPV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 135237411) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID135237411
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCNC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)11-12(16-4)5-10-19-15/h12,16H,5-11H2,1-4H3
InChIKeyVDMRZSUEWDCTPV-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 135237411) is tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is CNC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is VDMRZSUEWDCTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)11-12(16-4)5-10-19-15/h12,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 135237411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).