4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H15NO3S — CID 79210197

IUPAC4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(C(=O)NC2C=CC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C13H15NO3S/c1-7-5-11(8(2)18-7)12(15)14-10-4-3-9(6-10)13(16)17/h3-5,9-10H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyORTPZOAOJPLUJO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.12
Rot. Bonds3

About 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210197) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210197
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1cc(C(=O)NC2C=CC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C13H15NO3S/c1-7-5-11(8(2)18-7)12(15)14-10-4-3-9(6-10)13(16)17/h3-5,9-10H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyORTPZOAOJPLUJO-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 104669802
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
4-[(5-chlorothiophene-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210062
4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210007
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192218
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
4-[(5-bromothiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208530
4-[(3-bromo-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79215986

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79210197) is 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is Cc1cc(C(=O)NC2C=CC(C(=O)O)C2)c(C)s1.
What is the InChIKey of 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ORTPZOAOJPLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-7-5-11(8(2)18-7)12(15)14-10-4-3-9(6-10)13(16)17/h3-5,9-10H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).