ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

C14H23NO5 — CID 15639118

IUPACethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCCOC(=O)CN1C2COCC1CC(C(=O)OCC)C2
InChIInChI=1S/C14H23NO5/c1-3-19-13(16)7-15-11-5-10(14(17)20-4-2)6-12(15)9-18-8-11/h10-12H,3-9H2,1-2H3
InChIKeyOAERSURLFDCOJX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.59
Rot. Bonds5

About ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 15639118) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Nameethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID15639118
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCCOC(=O)CN1C2COCC1CC(C(=O)OCC)C2
InChIInChI=1S/C14H23NO5/c1-3-19-13(16)7-15-11-5-10(14(17)20-4-2)6-12(15)9-18-8-11/h10-12H,3-9H2,1-2H3
InChIKeyOAERSURLFDCOJX-UHFFFAOYSA-N
XLogP0.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (CID 15639118) is ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is CCOC(=O)CN1C2COCC1CC(C(=O)OCC)C2.
What is the InChIKey of ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is OAERSURLFDCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-19-13(16)7-15-11-5-10(14(17)20-4-2)6-12(15)9-18-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 15639118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).