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

C11H12N2O4S — CID 43417240

IUPAC3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCC(=O)N2)sc1C(=O)O
InChIInChI=1S/C11H12N2O4S/c1-5-4-8(18-9(5)11(16)17)13-10(15)6-2-3-7(14)12-6/h4,6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyTWAAPEHPIMTUDZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.97
Rot. Bonds3

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

3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43417240) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43417240
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCC(=O)N2)sc1C(=O)O
InChIInChI=1S/C11H12N2O4S/c1-5-4-8(18-9(5)11(16)17)13-10(15)6-2-3-7(14)12-6/h4,6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyTWAAPEHPIMTUDZ-UHFFFAOYSA-N
XLogP0.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43417240) is 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)C2CCC(=O)N2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is TWAAPEHPIMTUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-5-4-8(18-9(5)11(16)17)13-10(15)6-2-3-7(14)12-6/h4,6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-oxopyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43417240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).