(2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid

C16H15F3N2O4S — CID 166313883

About (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 166313883) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 166313883
• Molecular Formula: C16H15F3N2O4S
• Molecular Weight: 388.37 g/mol
• Exact Mass: 388.07
• IUPAC Name: (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
• SMILES: CO[C@@H]1C[C@H](C(=O)O)N(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1
• InChI: InChI=1S/C16H15F3N2O4S/c1-7-9-3-4-11(16(17,18)19)20-13(9)26-12(7)14(22)21-6-8(25-2)5-10(21)15(23)24/h3-4,8,10H,5-6H2,1-2H3,(H,23,24)/t8-,10-/m1/s1
• InChIKey: IXQLINYTLZKGEC-PSASIEDQSA-N
• XLogP: 2.94
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.37
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 166313883) is (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid is CO[C@@H]1C[C@H](C(=O)O)N(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1.

What is the InChIKey of (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid?

The InChIKey is IXQLINYTLZKGEC-PSASIEDQSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-7-9-3-4-11(16(17,18)19)20-13(9)26-12(7)14(22)21-6-8(25-2)5-10(21)15(23)24/h3-4,8,10H,5-6H2,1-2H3,(H,23,24)/t8-,10-/m1/s1.

What are the key properties of (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid?

(2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).