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

C12H12N2O4S — CID 70418783

IUPAC2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
SMILESCc1[nH]c(=O)c(C(=O)NC(C)C(=O)O)c2ccsc12
InChIInChI=1S/C12H12N2O4S/c1-5-9-7(3-4-19-9)8(10(15)13-5)11(16)14-6(2)12(17)18/h3-4,6H,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyNKKMYHCDEWXFNJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.10
Rot. Bonds3

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

2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 70418783) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
PubChem CID70418783
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
SMILESCc1[nH]c(=O)c(C(=O)NC(C)C(=O)O)c2ccsc12
InChIInChI=1S/C12H12N2O4S/c1-5-9-7(3-4-19-9)8(10(15)13-5)11(16)14-6(2)12(17)18/h3-4,6H,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyNKKMYHCDEWXFNJ-UHFFFAOYSA-N
XLogP1.10
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid (CID 70418783) is 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid is Cc1[nH]c(=O)c(C(=O)NC(C)C(=O)O)c2ccsc12.
What is the InChIKey of 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is NKKMYHCDEWXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-5-9-7(3-4-19-9)8(10(15)13-5)11(16)14-6(2)12(17)18/h3-4,6H,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 280.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-5-oxo-6H-thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70418783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).