methyl 3-(3-ethyl-4-pyridinyl)propanoate

C11H15NO2 — CID 174235269

IUPACmethyl 3-(3-ethyl-4-pyridinyl)propanoate
SMILESCCc1cnccc1CCC(=O)OC
InChIInChI=1S/C11H15NO2/c1-3-9-8-12-7-6-10(9)4-5-11(13)14-2/h6-8H,3-5H2,1-2H3
InChIKeyQLIXXDRJEUNQFU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.75
Rot. Bonds4

About methyl 3-(3-ethyl-4-pyridinyl)propanoate

methyl 3-(3-ethyl-4-pyridinyl)propanoate (PubChem CID 174235269) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-(3-ethyl-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethyl-4-pyridinyl)propanoate
PubChem CID174235269
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-(3-ethyl-4-pyridinyl)propanoate
SMILESCCc1cnccc1CCC(=O)OC
InChIInChI=1S/C11H15NO2/c1-3-9-8-12-7-6-10(9)4-5-11(13)14-2/h6-8H,3-5H2,1-2H3
InChIKeyQLIXXDRJEUNQFU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3-ethyl-4-pyridinyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-(3-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]propanoate
CID 107039688
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-(2-ethylbenzene-4-id-1-yl)propanoate;tungsten
CID 59822807
3,4-diethylpyridine;ethane
CID 90914060
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethyl-4-pyridinyl)propanoate?
The IUPAC name of methyl 3-(3-ethyl-4-pyridinyl)propanoate (CID 174235269) is methyl 3-(3-ethyl-4-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(3-ethyl-4-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(3-ethyl-4-pyridinyl)propanoate is CCc1cnccc1CCC(=O)OC.
What is the InChIKey of methyl 3-(3-ethyl-4-pyridinyl)propanoate?
The InChIKey is QLIXXDRJEUNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-8-12-7-6-10(9)4-5-11(13)14-2/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 3-(3-ethyl-4-pyridinyl)propanoate?
methyl 3-(3-ethyl-4-pyridinyl)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethyl-4-pyridinyl)propanoate is sourced from PubChem (CID 174235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).