ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

C11H19NO3 — CID 66392333

IUPACethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCCOC(=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-14-11(13)5-6-12-7-9-3-4-10(8-12)15-9/h9-10H,2-8H2,1H3
InChIKeyHRHYEYKKDDIBKI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds4

About ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate

ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (PubChem CID 66392333) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
PubChem CID66392333
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
SMILESCCOC(=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-2-14-11(13)5-6-12-7-9-3-4-10(8-12)15-9/h9-10H,2-8H2,1H3
InChIKeyHRHYEYKKDDIBKI-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The IUPAC name of ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate (CID 66392333) is ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The canonical SMILES for ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is CCOC(=O)CCN1CC2CCC(C1)O2.
What is the InChIKey of ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
The InChIKey is HRHYEYKKDDIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-14-11(13)5-6-12-7-9-3-4-10(8-12)15-9/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate?
ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate is sourced from PubChem (CID 66392333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).