2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid

C14H20N2O3S — CID 79801206

About 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid

2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid (PubChem CID 79801206) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid
• PubChem CID: 79801206
• Molecular Formula: C14H20N2O3S
• Molecular Weight: 296.39 g/mol
• Exact Mass: 296.12
• IUPAC Name: 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid
• SMILES: CCC(C)(NC(=O)N1CCc2sccc2C1C)C(=O)O
• InChI: InChI=1S/C14H20N2O3S/c1-4-14(3,12(17)18)15-13(19)16-7-5-11-10(9(16)2)6-8-20-11/h6,8-9H,4-5,7H2,1-3H3,(H,15,19)(H,17,18)
• InChIKey: ODIVVBZDYKMHFV-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.39
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid?

The IUPAC name of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid (CID 79801206) is 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid.

What is the SMILES notation for 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid?

The canonical SMILES for 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)N1CCc2sccc2C1C)C(=O)O.

What is the InChIKey of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid?

The InChIKey is ODIVVBZDYKMHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-14(3,12(17)18)15-13(19)16-7-5-11-10(9(16)2)6-8-20-11/h6,8-9H,4-5,7H2,1-3H3,(H,15,19)(H,17,18).

What are the key properties of 2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid?

2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]butanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 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]pyridine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79801206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).