5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid

C11H15NO2S — CID 112574782

IUPAC5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(CCc2cccs2)N1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-6-4-8(12-10)3-5-9-2-1-7-15-9/h1-2,7-8,10,12H,3-6H2,(H,13,14)
InChIKeyLBJLQZKDMXYPPN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.89
Rot. Bonds4

About 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid

5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 112574782) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID112574782
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(CCc2cccs2)N1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-6-4-8(12-10)3-5-9-2-1-7-15-9/h1-2,7-8,10,12H,3-6H2,(H,13,14)
InChIKeyLBJLQZKDMXYPPN-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-thiophen-2-ylethyl)pyrrolidine-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

Related Compounds

5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
CID 117258414
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 104679380
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 104771276

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid (CID 112574782) is 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(CCc2cccs2)N1.
What is the InChIKey of 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LBJLQZKDMXYPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)10-6-4-8(12-10)3-5-9-2-1-7-15-9/h1-2,7-8,10,12H,3-6H2,(H,13,14).
What are the key properties of 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid?
5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112574782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).