methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C11H20N2O2 — CID 73013924

IUPACmethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3
InChIKeyLGVWUDVZXPVUMU-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds

About methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 73013924) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID73013924
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3
InChIKeyLGVWUDVZXPVUMU-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 73013924) is methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is LGVWUDVZXPVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3.
What are the key properties of methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 73013924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).