2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid

C7H11NO3S — CID 57375138

IUPAC2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1NC(=O)CS1
InChIInChI=1S/C7H11NO3S/c1-2-4(7(10)11)6-8-5(9)3-12-6/h4,6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyAGWFYQXJGLPCOD-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.29
Rot. Bonds3

About 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid

2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid (PubChem CID 57375138) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid
PubChem CID57375138
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1NC(=O)CS1
InChIInChI=1S/C7H11NO3S/c1-2-4(7(10)11)6-8-5(9)3-12-6/h4,6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyAGWFYQXJGLPCOD-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic 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-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid (CID 57375138) is 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid is CCC(C(=O)O)C1NC(=O)CS1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid?
The InChIKey is AGWFYQXJGLPCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-2-4(7(10)11)6-8-5(9)3-12-6/h4,6H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid?
2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid has a molecular weight of 189.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-2-yl)butanoic acid is sourced from PubChem (CID 57375138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).