2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C14H26N2O3 — CID 163569785

IUPAC2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11-18-12(17)16-7-4-14(5-8-16)10-15-6-9-19-14/h15H,4-11H2,1-3H3
InChIKeyFYHWGQLAGOWJNL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds1

About 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 163569785) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID163569785
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11-18-12(17)16-7-4-14(5-8-16)10-15-6-9-19-14/h15H,4-11H2,1-3H3
InChIKeyFYHWGQLAGOWJNL-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CID 163569785) is 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)COC(=O)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is FYHWGQLAGOWJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)11-18-12(17)16-7-4-14(5-8-16)10-15-6-9-19-14/h15H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 163569785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).