ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate

C12H21NO3 — CID 167732275

IUPACethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)C1CCC2(CCNCC2)CO1
InChIInChI=1S/C12H21NO3/c1-2-15-11(14)10-3-4-12(9-16-10)5-7-13-8-6-12/h10,13H,2-9H2,1H3
InChIKeyNCPIECWOHPWVKU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds2

About ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate

ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 167732275) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate
PubChem CID167732275
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)C1CCC2(CCNCC2)CO1
InChIInChI=1S/C12H21NO3/c1-2-15-11(14)10-3-4-12(9-16-10)5-7-13-8-6-12/h10,13H,2-9H2,1H3
InChIKeyNCPIECWOHPWVKU-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate (CID 167732275) is ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate is CCOC(=O)C1CCC2(CCNCC2)CO1.
What is the InChIKey of ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is NCPIECWOHPWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-15-11(14)10-3-4-12(9-16-10)5-7-13-8-6-12/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate?
ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxa-9-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 167732275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).