ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C14H23NO4 — CID 19748295

IUPACethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)CC1CC2CCC(C1)N2C(=O)OCC
InChIInChI=1S/C14H23NO4/c1-3-18-13(16)9-10-7-11-5-6-12(8-10)15(11)14(17)19-4-2/h10-12H,3-9H2,1-2H3
InChIKeyHPINOMFYMUAFCZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.34
Rot. Bonds4

About ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 19748295) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID19748295
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)CC1CC2CCC(C1)N2C(=O)OCC
InChIInChI=1S/C14H23NO4/c1-3-18-13(16)9-10-7-11-5-6-12(8-10)15(11)14(17)19-4-2/h10-12H,3-9H2,1-2H3
InChIKeyHPINOMFYMUAFCZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 19748295) is ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)CC1CC2CCC(C1)N2C(=O)OCC.
What is the InChIKey of ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is HPINOMFYMUAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-18-13(16)9-10-7-11-5-6-12(8-10)15(11)14(17)19-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 19748295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).