ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate

C12H21NO3 — CID 131557873

IUPACethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H21NO3/c1-2-15-11(14)10-3-5-12(6-4-10)9-13-7-8-16-12/h10,13H,2-9H2,1H3
InChIKeyJJPHEGINZKYQCC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds2

About ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate

ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 131557873) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate
PubChem CID131557873
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H21NO3/c1-2-15-11(14)10-3-5-12(6-4-10)9-13-7-8-16-12/h10,13H,2-9H2,1H3
InChIKeyJJPHEGINZKYQCC-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate (CID 131557873) is ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate is CCOC(=O)C1CCC2(CC1)CNCCO2.
What is the InChIKey of ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is JJPHEGINZKYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-15-11(14)10-3-5-12(6-4-10)9-13-7-8-16-12/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate?
ethyl 1-oxa-4-azaspiro[5.5]undecane-9-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 1-oxa-4-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 131557873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).