methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate

C13H24N2O3 — CID 83959957

IUPACmethyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate
SMILESCCC1CN(CCN)CC(C(=O)OC)C12COC2
InChIInChI=1S/C13H24N2O3/c1-3-10-6-15(5-4-14)7-11(12(16)17-2)13(10)8-18-9-13/h10-11H,3-9,14H2,1-2H3
InChIKeySKYPUMLDCGBQJO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.09
Rot. Bonds4

About methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate

methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate (PubChem CID 83959957) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate
PubChem CID83959957
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate
SMILESCCC1CN(CCN)CC(C(=O)OC)C12COC2
InChIInChI=1S/C13H24N2O3/c1-3-10-6-15(5-4-14)7-11(12(16)17-2)13(10)8-18-9-13/h10-11H,3-9,14H2,1-2H3
InChIKeySKYPUMLDCGBQJO-UHFFFAOYSA-N
XLogP0.09
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate?
The IUPAC name of methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate (CID 83959957) is methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate.
What is the SMILES notation for methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate?
The canonical SMILES for methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate is CCC1CN(CCN)CC(C(=O)OC)C12COC2.
What is the InChIKey of methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate?
The InChIKey is SKYPUMLDCGBQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10-6-15(5-4-14)7-11(12(16)17-2)13(10)8-18-9-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate?
methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate is sourced from PubChem (CID 83959957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).