3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid

C11H13NO3S — CID 69261543

IUPAC3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC2)sc1C(=O)O
InChIInChI=1S/C11H13NO3S/c1-7-6-8(16-9(7)11(14)15)10(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15)
InChIKeyAATJHLSZCPIGSB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.99
Rot. Bonds2

About 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid

3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 69261543) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID69261543
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC2)sc1C(=O)O
InChIInChI=1S/C11H13NO3S/c1-7-6-8(16-9(7)11(14)15)10(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15)
InChIKeyAATJHLSZCPIGSB-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid (CID 69261543) is 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid is Cc1cc(C(=O)N2CCCC2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is AATJHLSZCPIGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-6-8(16-9(7)11(14)15)10(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid?
3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrrolidine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 69261543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).