5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid

C12H14N2O4S — CID 83192350

IUPAC5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)C2CNC(=O)C2)s1
InChIInChI=1S/C12H14N2O4S/c1-2-7-4-8(12(17)18)11(19-7)14-10(16)6-3-9(15)13-5-6/h4,6H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyJLMAQQDOOFINKH-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.08
Rot. Bonds4

About 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 83192350) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID83192350
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)C2CNC(=O)C2)s1
InChIInChI=1S/C12H14N2O4S/c1-2-7-4-8(12(17)18)11(19-7)14-10(16)6-3-9(15)13-5-6/h4,6H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyJLMAQQDOOFINKH-UHFFFAOYSA-N
XLogP1.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 83192350) is 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)C2CNC(=O)C2)s1.
What is the InChIKey of 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is JLMAQQDOOFINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-2-7-4-8(12(17)18)11(19-7)14-10(16)6-3-9(15)13-5-6/h4,6H,2-3,5H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 83192350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).