4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid

C13H15NO3S — CID 79209434

IUPAC4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CCc1cccs1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H15NO3S/c15-12(6-5-11-2-1-7-18-11)14-10-4-3-9(8-10)13(16)17/h1-4,7,9-10H,5-6,8H2,(H,14,15)(H,16,17)
InChIKeyUSYAIRWGYVKXIC-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.83
Rot. Bonds5

About 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid

4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209434) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79209434
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(CCc1cccs1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H15NO3S/c15-12(6-5-11-2-1-7-18-11)14-10-4-3-9(8-10)13(16)17/h1-4,7,9-10H,5-6,8H2,(H,14,15)(H,16,17)
InChIKeyUSYAIRWGYVKXIC-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.83
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-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216332
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210213
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79209434) is 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid is O=C(CCc1cccs1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is USYAIRWGYVKXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-12(6-5-11-2-1-7-18-11)14-10-4-3-9(8-10)13(16)17/h1-4,7,9-10H,5-6,8H2,(H,14,15)(H,16,17).
What are the key properties of 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).