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

C15H23NO2S — CID 62271775

IUPAC2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid
SMILESCCC(CC)(CN1CCc2sccc2C1C)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-15(5-2,14(17)18)10-16-8-6-13-12(11(16)3)7-9-19-13/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,18)
InChIKeyDWCRJCGDPBFLGS-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.56
Rot. Bonds5

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

2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid (PubChem CID 62271775) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid
PubChem CID62271775
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid
SMILESCCC(CC)(CN1CCc2sccc2C1C)C(=O)O
InChIInChI=1S/C15H23NO2S/c1-4-15(5-2,14(17)18)10-16-8-6-13-12(11(16)3)7-9-19-13/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,18)
InChIKeyDWCRJCGDPBFLGS-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-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid (CID 62271775) is 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid is CCC(CC)(CN1CCc2sccc2C1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid?
The InChIKey is DWCRJCGDPBFLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-15(5-2,14(17)18)10-16-8-6-13-12(11(16)3)7-9-19-13/h7,9,11H,4-6,8,10H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid?
2-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic 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-ethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butanoic acid is sourced from PubChem (CID 62271775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).