ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate

C10H17NO3 — CID 131538145

IUPACethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
SMILESCCOC(=O)C1COC2(CCCC2)N1
InChIInChI=1S/C10H17NO3/c1-2-13-9(12)8-7-14-10(11-8)5-3-4-6-10/h8,11H,2-7H2,1H3
InChIKeyHTFRFXSJVAFMTM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate

ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate (PubChem CID 131538145) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
PubChem CID131538145
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
SMILESCCOC(=O)C1COC2(CCCC2)N1
InChIInChI=1S/C10H17NO3/c1-2-13-9(12)8-7-14-10(11-8)5-3-4-6-10/h8,11H,2-7H2,1H3
InChIKeyHTFRFXSJVAFMTM-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-hydroxy-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 165447867
ethyl 2-azaspiro[4.4]nonane-3-carboxylate
CID 22154621
ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
CID 97295072
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
ethyl 5-acetylpyrazolidine-3-carboxylate
CID 170905904
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
ethyl 1,1-dioxothiazinane-3-carboxylate
CID 130150254
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
ethyl 1-trimethylsilyloxybicyclo[4.1.0]heptane-7-carboxylate
CID 73192843
ethyl 2-[(1S,6S)-7,9-dioxabicyclo[4.2.1]nonan-6-yl]acetate
CID 14445035
ethyl 4-acetyl-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 54763129

Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
The IUPAC name of ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate (CID 131538145) is ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate.
What is the SMILES notation for ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
The canonical SMILES for ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate is CCOC(=O)C1COC2(CCCC2)N1.
What is the InChIKey of ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
The InChIKey is HTFRFXSJVAFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-13-9(12)8-7-14-10(11-8)5-3-4-6-10/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate?
ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 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[4.4]nonane-3-carboxylate is sourced from PubChem (CID 131538145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).