2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid

C13H14N2O5S — CID 67429020

IUPAC2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid
SMILESCc1csc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12
InChIInChI=1S/C13H14N2O5S/c1-5-4-21-10-8(5)15(3)12(18)7(9(10)16)11(17)14-6(2)13(19)20/h4,6,16H,1-3H3,(H,14,17)(H,19,20)
InChIKeyZWTLYZJOXUPRQC-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.82
Rot. Bonds3

About 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid

2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid (PubChem CID 67429020) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid
PubChem CID67429020
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid
SMILESCc1csc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12
InChIInChI=1S/C13H14N2O5S/c1-5-4-21-10-8(5)15(3)12(18)7(9(10)16)11(17)14-6(2)13(19)20/h4,6,16H,1-3H3,(H,14,17)(H,19,20)
InChIKeyZWTLYZJOXUPRQC-UHFFFAOYSA-N
XLogP0.82
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid (CID 67429020) is 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid is Cc1csc2c(O)c(C(=O)NC(C)C(=O)O)c(=O)n(C)c12.
What is the InChIKey of 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid?
The InChIKey is ZWTLYZJOXUPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-5-4-21-10-8(5)15(3)12(18)7(9(10)16)11(17)14-6(2)13(19)20/h4,6,16H,1-3H3,(H,14,17)(H,19,20).
What are the key properties of 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid?
2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid has a molecular weight of 310.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67429020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).