5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid

C12H15NO3S — CID 59752125

IUPAC5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid
SMILESCC1CCC(=O)N1CCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H15NO3S/c1-8-2-5-11(14)13(8)7-6-9-3-4-10(17-9)12(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16)
InChIKeySOIUUJGWOKUUOV-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.00
Rot. Bonds4

About 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid

5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid (PubChem CID 59752125) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid
PubChem CID59752125
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid
SMILESCC1CCC(=O)N1CCc1ccc(C(=O)O)s1
InChIInChI=1S/C12H15NO3S/c1-8-2-5-11(14)13(8)7-6-9-3-4-10(17-9)12(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16)
InChIKeySOIUUJGWOKUUOV-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid (CID 59752125) is 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid is CC1CCC(=O)N1CCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid?
The InChIKey is SOIUUJGWOKUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-2-5-11(14)13(8)7-6-9-3-4-10(17-9)12(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16).
What are the key properties of 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid?
5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 59752125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).