ethyl 2-methyl-3-pyridin-4-ylpropanoate

C11H15NO2 — CID 22939399

IUPACethyl 2-methyl-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)Cc1ccncc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)9(2)8-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyVRJLDAOPNRIFJK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-methyl-3-pyridin-4-ylpropanoate

ethyl 2-methyl-3-pyridin-4-ylpropanoate (PubChem CID 22939399) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 2-methyl-3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-pyridin-4-ylpropanoate
PubChem CID22939399
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 2-methyl-3-pyridin-4-ylpropanoate
SMILESCCOC(=O)C(C)Cc1ccncc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)9(2)8-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyVRJLDAOPNRIFJK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
CID 22494133
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
diethyl 2-(pyridin-4-ylmethyl)butanedioate
CID 14982424
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
ethyl 2-methyl-3-(4-methylsulfanylphenyl)propanoate
CID 141007398
ethyl (2R)-3-(4-cyanophenyl)-2-methylpropanoate
CID 124632195
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
1,1,1-trifluoro-3-methyl-4-pyridin-4-ylbutan-2-one
CID 132934559
3-pyridin-4-ylpropyl 2-methylpentanoate
CID 78841674
ethyl 3-(4-hydroxy-3,5-diiodophenyl)-2-methylpropanoate
CID 15128209
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-pyridin-4-ylpropanoate?
The IUPAC name of ethyl 2-methyl-3-pyridin-4-ylpropanoate (CID 22939399) is ethyl 2-methyl-3-pyridin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-3-pyridin-4-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-3-pyridin-4-ylpropanoate is CCOC(=O)C(C)Cc1ccncc1.
What is the InChIKey of ethyl 2-methyl-3-pyridin-4-ylpropanoate?
The InChIKey is VRJLDAOPNRIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(13)9(2)8-10-4-6-12-7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-pyridin-4-ylpropanoate?
ethyl 2-methyl-3-pyridin-4-ylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-pyridin-4-ylpropanoate is sourced from PubChem (CID 22939399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).