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

C15H23NO2S — CID 62271972

IUPAC2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid
SMILESCCCC(C)(CN1CCc2sccc2C1C)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-7-15(3,14(17)18)10-16-8-5-13-12(11(16)2)6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,18)
InChIKeyIWTYURAJTHZGPU-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.56
Rot. Bonds5

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

2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid (PubChem CID 62271972) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid
PubChem CID62271972
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid
SMILESCCCC(C)(CN1CCc2sccc2C1C)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-7-15(3,14(17)18)10-16-8-5-13-12(11(16)2)6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,18)
InChIKeyIWTYURAJTHZGPU-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid (CID 62271972) is 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid is CCCC(C)(CN1CCc2sccc2C1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid?
The InChIKey is IWTYURAJTHZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-7-15(3,14(17)18)10-16-8-5-13-12(11(16)2)6-9-19-13/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid?
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid has a molecular weight of 281.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pentanoic acid is sourced from PubChem (CID 62271972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).