3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

C11H13NO3S — CID 63639699

IUPAC3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCC1CC(=O)N(Cc2ccsc2C(=O)O)C1
InChIInChI=1S/C11H13NO3S/c1-7-4-9(13)12(5-7)6-8-2-3-16-10(8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyOUJDTBSVQXDCFO-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.81
Rot. Bonds3

About 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63639699) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63639699
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCC1CC(=O)N(Cc2ccsc2C(=O)O)C1
InChIInChI=1S/C11H13NO3S/c1-7-4-9(13)12(5-7)6-8-2-3-16-10(8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyOUJDTBSVQXDCFO-UHFFFAOYSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-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 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63639699) is 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is CC1CC(=O)N(Cc2ccsc2C(=O)O)C1.
What is the InChIKey of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is OUJDTBSVQXDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-4-9(13)12(5-7)6-8-2-3-16-10(8)11(14)15/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).