ethyl 3-pyridin-3-ylbutanoate

C11H15NO2 — CID 12727116

IUPACethyl 3-pyridin-3-ylbutanoate
SMILESCCOC(=O)CC(C)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)7-9(2)10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyAZVMTDLPURVDGH-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.14
Rot. Bonds4

About ethyl 3-pyridin-3-ylbutanoate

ethyl 3-pyridin-3-ylbutanoate (PubChem CID 12727116) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-pyridin-3-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-pyridin-3-ylbutanoate
PubChem CID12727116
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-pyridin-3-ylbutanoate
SMILESCCOC(=O)CC(C)c1cccnc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)7-9(2)10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyAZVMTDLPURVDGH-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-3-ylbutanoate?
The IUPAC name of ethyl 3-pyridin-3-ylbutanoate (CID 12727116) is ethyl 3-pyridin-3-ylbutanoate.
What is the SMILES notation for ethyl 3-pyridin-3-ylbutanoate?
The canonical SMILES for ethyl 3-pyridin-3-ylbutanoate is CCOC(=O)CC(C)c1cccnc1.
What is the InChIKey of ethyl 3-pyridin-3-ylbutanoate?
The InChIKey is AZVMTDLPURVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(13)7-9(2)10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of ethyl 3-pyridin-3-ylbutanoate?
ethyl 3-pyridin-3-ylbutanoate has a molecular weight of 193.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-3-ylbutanoate is sourced from PubChem (CID 12727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).