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

C13H16N2O3S — CID 79216506

IUPAC4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C13H16N2O3S/c1-8(10-4-5-19-7-10)14-13(18)15-11-3-2-9(6-11)12(16)17/h2-5,7-9,11H,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBOSCUCQIWZRWTG-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.14
Rot. Bonds4

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

4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216506) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216506
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C13H16N2O3S/c1-8(10-4-5-19-7-10)14-13(18)15-11-3-2-9(6-11)12(16)17/h2-5,7-9,11H,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyBOSCUCQIWZRWTG-UHFFFAOYSA-N
XLogP2.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79193472
4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215973
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
4-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192276
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216638
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
4-(1-methylsulfanylbutan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 113495082
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216506) is 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is CC(NC(=O)NC1C=CC(C(=O)O)C1)c1ccsc1.
What is the InChIKey of 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is BOSCUCQIWZRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8(10-4-5-19-7-10)14-13(18)15-11-3-2-9(6-11)12(16)17/h2-5,7-9,11H,6H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).