ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate

C11H19NO3 — CID 123186683

IUPACethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESCCOCC1CCC(C(=O)OCC)=NC1
InChIInChI=1S/C11H19NO3/c1-3-14-8-9-5-6-10(12-7-9)11(13)15-4-2/h9H,3-8H2,1-2H3
InChIKeyPMPFFXSDGGUHOY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.44
Rot. Bonds5

About ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate

ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate (PubChem CID 123186683) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate
PubChem CID123186683
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESCCOCC1CCC(C(=O)OCC)=NC1
InChIInChI=1S/C11H19NO3/c1-3-14-8-9-5-6-10(12-7-9)11(13)15-4-2/h9H,3-8H2,1-2H3
InChIKeyPMPFFXSDGGUHOY-UHFFFAOYSA-N
XLogP1.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-azabicyclo[3.1.0]hex-2-ene-2-carboxylate
CID 13150530
Ethyl 3,4,5,6-tetrahydropyridine-2-carboxylate
CID 45082140
Ethyl 4-[5-[(6-ethoxy-5-methyl-6-oxohexan-3-ylidene)amino]pentylimino]-2-methylhexanoate
CID 54554622
methyl 5-tert-butyl-3,4-dihydro-2H-pyrrole-3-carboxylate
CID 58468604
Ethyl 2-(3-methylbutylimino)cyclopentane-1-carboxylate
CID 90959351
Ethyl 5-ethyl-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3-carboxylate
CID 123346858
Ethyl 5-methyl-3-propan-2-yliminohexanoate
CID 123410205
Methyl 3-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate
CID 130287380
Ethyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535006
Butyl 6-(4-methylpentan-2-ylideneamino)hexanoate
CID 146535008
ethyl 2-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropanoate
CID 21781893

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate?
The IUPAC name of ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate (CID 123186683) is ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate?
The canonical SMILES for ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate is CCOCC1CCC(C(=O)OCC)=NC1.
What is the InChIKey of ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate?
The InChIKey is PMPFFXSDGGUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-14-8-9-5-6-10(12-7-9)11(13)15-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate?
ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxymethyl)-2,3,4,5-tetrahydropyridine-6-carboxylate is sourced from PubChem (CID 123186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).