4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

C11H14N2O4S — CID 79208526

IUPAC4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CN1CSCC1=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c14-9(4-13-6-18-5-10(13)15)12-8-2-1-7(3-8)11(16)17/h1-2,7-8H,3-6H2,(H,12,14)(H,16,17)
InChIKeyVTGVYZKFYIQFLP-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.34
Rot. Bonds4

About 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208526) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79208526
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CN1CSCC1=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c14-9(4-13-6-18-5-10(13)15)12-8-2-1-7(3-8)11(16)17/h1-2,7-8H,3-6H2,(H,12,14)(H,16,17)
InChIKeyVTGVYZKFYIQFLP-UHFFFAOYSA-N
XLogP-0.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79208526) is 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(CN1CSCC1=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is VTGVYZKFYIQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9(4-13-6-18-5-10(13)15)12-8-2-1-7(3-8)11(16)17/h1-2,7-8H,3-6H2,(H,12,14)(H,16,17).
What are the key properties of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).