5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C14H19NO4S — CID 115949250

About 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 115949250) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• PubChem CID: 115949250
• Molecular Formula: C14H19NO4S
• Molecular Weight: 297.38 g/mol
• Exact Mass: 297.10
• IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• SMILES: CC(C)(C)OCC(=O)N1CCc2sccc2C1C(=O)O
• InChI: InChI=1S/C14H19NO4S/c1-14(2,3)19-8-11(16)15-6-4-10-9(5-7-20-10)12(15)13(17)18/h5,7,12H,4,6,8H2,1-3H3,(H,17,18)
• InChIKey: ZSNRGYATEWDZNN-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.38
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 115949250) is 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CC(C)(C)OCC(=O)N1CCc2sccc2C1C(=O)O.

What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The InChIKey is ZSNRGYATEWDZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2,3)19-8-11(16)15-6-4-10-9(5-7-20-10)12(15)13(17)18/h5,7,12H,4,6,8H2,1-3H3,(H,17,18).

What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 115949250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).