5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C13H18N2O3S — CID 65228403

About 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65228403) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• PubChem CID: 65228403
• Molecular Formula: C13H18N2O3S
• Molecular Weight: 282.36 g/mol
• Exact Mass: 282.10
• IUPAC Name: 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• SMILES: CCC(CN)C(=O)N1CCc2sccc2C1C(=O)O
• InChI: InChI=1S/C13H18N2O3S/c1-2-8(7-14)12(16)15-5-3-10-9(4-6-19-10)11(15)13(17)18/h4,6,8,11H,2-3,5,7,14H2,1H3,(H,17,18)
• InChIKey: CDNSUVRSJHBSSL-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 83.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.36
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65228403) is 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

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

The canonical SMILES for 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CCC(CN)C(=O)N1CCc2sccc2C1C(=O)O.

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

The InChIKey is CDNSUVRSJHBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-8(7-14)12(16)15-5-3-10-9(4-6-19-10)11(15)13(17)18/h4,6,8,11H,2-3,5,7,14H2,1H3,(H,17,18).

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

5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65228403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).