4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid

C11H15NO3S — CID 114351436

IUPAC4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CCc1ccsc1
InChIInChI=1S/C11H15NO3S/c13-9-5-10(11(14)15)12(6-9)3-1-8-2-4-16-7-8/h2,4,7,9-10,13H,1,3,5-6H2,(H,14,15)
InChIKeyRLFFIJSBYRSJNO-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.81
Rot. Bonds4

About 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 114351436) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID114351436
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CCc1ccsc1
InChIInChI=1S/C11H15NO3S/c13-9-5-10(11(14)15)12(6-9)3-1-8-2-4-16-7-8/h2,4,7,9-10,13H,1,3,5-6H2,(H,14,15)
InChIKeyRLFFIJSBYRSJNO-UHFFFAOYSA-N
XLogP0.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid (CID 114351436) is 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1CCc1ccsc1.
What is the InChIKey of 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RLFFIJSBYRSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-9-5-10(11(14)15)12(6-9)3-1-8-2-4-16-7-8/h2,4,7,9-10,13H,1,3,5-6H2,(H,14,15).
What are the key properties of 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).