ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate

C16H27NO3 — CID 177337405

IUPACethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C23CCC(CC2)CC3)CCO1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)11-14-12-17(9-10-20-14)16-6-3-13(4-7-16)5-8-16/h13-14H,2-12H2,1H3
InChIKeyVBKDFHVSQUTKCH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate

ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate (PubChem CID 177337405) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate
PubChem CID177337405
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C23CCC(CC2)CC3)CCO1
InChIInChI=1S/C16H27NO3/c1-2-19-15(18)11-14-12-17(9-10-20-14)16-6-3-13(4-7-16)5-8-16/h13-14H,2-12H2,1H3
InChIKeyVBKDFHVSQUTKCH-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate (CID 177337405) is ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate is CCOC(=O)CC1CN(C23CCC(CC2)CC3)CCO1.
What is the InChIKey of ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate?
The InChIKey is VBKDFHVSQUTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-19-15(18)11-14-12-17(9-10-20-14)16-6-3-13(4-7-16)5-8-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate?
ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate has a molecular weight of 281.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate is sourced from PubChem (CID 177337405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).