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

C12H22N2O2 — CID 73013923

IUPACethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-11(15)14-9-5-12(6-10-14)3-7-13-8-4-12/h13H,2-10H2,1H3
InChIKeyPMUYVBLRHYQBBU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds1

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

ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 73013923) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID73013923
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-11(15)14-9-5-12(6-10-14)3-7-13-8-4-12/h13H,2-10H2,1H3
InChIKeyPMUYVBLRHYQBBU-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 73013923) is ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is CCOC(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is PMUYVBLRHYQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-11(15)14-9-5-12(6-10-14)3-7-13-8-4-12/h13H,2-10H2,1H3.
What are the key properties of ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate?
ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 73013923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).