ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate

C11H17NO3 — CID 62739790

IUPACethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate
SMILESCCOC(=O)CN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-12-8-3-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3
InChIKeyZHMJHCFUAGZUFA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.75
Rot. Bonds3

About ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate

ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate (PubChem CID 62739790) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate
PubChem CID62739790
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate
SMILESCCOC(=O)CN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-12-8-3-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3
InChIKeyZHMJHCFUAGZUFA-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate (CID 62739790) is ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate is CCOC(=O)CN1C2CCC1CC(=O)C2.
What is the InChIKey of ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The InChIKey is ZHMJHCFUAGZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-11(14)7-12-8-3-4-9(12)6-10(13)5-8/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate?
ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate is sourced from PubChem (CID 62739790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).