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

C11H20N2O3 — CID 97449218

IUPACethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
SMILESCCOC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O3/c1-2-15-10(14)13-7-8-16-11(9-13)3-5-12-6-4-11/h12H,2-9H2,1H3
InChIKeyAJSRLYHEPLDFDO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.60
Rot. Bonds1

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

ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate (PubChem CID 97449218) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
PubChem CID97449218
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
SMILESCCOC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H20N2O3/c1-2-15-10(14)13-7-8-16-11(9-13)3-5-12-6-4-11/h12H,2-9H2,1H3
InChIKeyAJSRLYHEPLDFDO-UHFFFAOYSA-N
XLogP0.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)but-2-en-1-one
CID 165456799
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
benzyl (4S)-1-oxa-7-azaspiro[3.4]octane-7-carboxylate;methanol;(4S)-1-oxa-7-azaspiro[3.4]octane
CID 157316981
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
tert-butyl 2-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 177330033
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 75485633
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
(2R,3R)-2-amino-1-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-methylpentan-1-one
CID 99820963

Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?
The IUPAC name of ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate (CID 97449218) is ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate.
What is the SMILES notation for ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?
The canonical SMILES for ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate is CCOC(=O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?
The InChIKey is AJSRLYHEPLDFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-15-10(14)13-7-8-16-11(9-13)3-5-12-6-4-11/h12H,2-9H2,1H3.
What are the key properties of ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate?
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate is sourced from PubChem (CID 97449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).