4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C10H12N2O4S — CID 79209096

IUPAC4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C1NC(C(=O)NC2C=CC(C(=O)O)C2)CS1
InChIInChI=1S/C10H12N2O4S/c13-8(7-4-17-10(16)12-7)11-6-2-1-5(3-6)9(14)15/h1-2,5-7H,3-4H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyBYRYVTDOPWWZPU-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.04
Rot. Bonds3

About 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209096) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209096
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C1NC(C(=O)NC2C=CC(C(=O)O)C2)CS1
InChIInChI=1S/C10H12N2O4S/c13-8(7-4-17-10(16)12-7)11-6-2-1-5(3-6)9(14)15/h1-2,5-7H,3-4H2,(H,11,13)(H,12,16)(H,14,15)
InChIKeyBYRYVTDOPWWZPU-UHFFFAOYSA-N
XLogP-0.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209096) is 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C1NC(C(=O)NC2C=CC(C(=O)O)C2)CS1.
What is the InChIKey of 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is BYRYVTDOPWWZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-8(7-4-17-10(16)12-7)11-6-2-1-5(3-6)9(14)15/h1-2,5-7H,3-4H2,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).