2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid

C14H21NO2S — CID 62272476

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid
SMILESCCC(CC)(CN1CCc2sccc2C1)C(=O)O
InChIInChI=1S/C14H21NO2S/c1-3-14(4-2,13(16)17)10-15-7-5-12-11(9-15)6-8-18-12/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyGLNVGXMJKWUMLJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.00
Rot. Bonds5

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid (PubChem CID 62272476) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid
PubChem CID62272476
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid
SMILESCCC(CC)(CN1CCc2sccc2C1)C(=O)O
InChIInChI=1S/C14H21NO2S/c1-3-14(4-2,13(16)17)10-15-7-5-12-11(9-15)6-8-18-12/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyGLNVGXMJKWUMLJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid (CID 62272476) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid is CCC(CC)(CN1CCc2sccc2C1)C(=O)O.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid?
The InChIKey is GLNVGXMJKWUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-14(4-2,13(16)17)10-15-7-5-12-11(9-15)6-8-18-12/h6,8H,3-5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid has a molecular weight of 267.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-ethylbutanoic acid is sourced from PubChem (CID 62272476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).