3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid

C11H15NO2S — CID 58893689

IUPAC3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid
SMILESCN1CCc2sc(CCC(=O)O)cc2C1
InChIInChI=1S/C11H15NO2S/c1-12-5-4-10-8(7-12)6-9(15-10)2-3-11(13)14/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyQJYJSFAAWDZZEA-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.75
Rot. Bonds3

About 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid

3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid (PubChem CID 58893689) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid
PubChem CID58893689
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid
SMILESCN1CCc2sc(CCC(=O)O)cc2C1
InChIInChI=1S/C11H15NO2S/c1-12-5-4-10-8(7-12)6-9(15-10)2-3-11(13)14/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyQJYJSFAAWDZZEA-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid (CID 58893689) is 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid is CN1CCc2sc(CCC(=O)O)cc2C1.
What is the InChIKey of 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid?
The InChIKey is QJYJSFAAWDZZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-5-4-10-8(7-12)6-9(15-10)2-3-11(13)14/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid?
3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid has a molecular weight of 225.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 58893689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).