4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO4S — CID 16772337

IUPAC4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO4S/c12-7-3-8(10(14)15)11(4-7)9(13)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2,(H,14,15)
InChIKeyICTKNPASKOZHOV-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.41
Rot. Bonds2

About 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 16772337) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID16772337
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccsc1
InChIInChI=1S/C10H11NO4S/c12-7-3-8(10(14)15)11(4-7)9(13)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2,(H,14,15)
InChIKeyICTKNPASKOZHOV-UHFFFAOYSA-N
XLogP0.41
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 16772337) is 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccsc1.
What is the InChIKey of 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ICTKNPASKOZHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-7-3-8(10(14)15)11(4-7)9(13)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2,(H,14,15).
What are the key properties of 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16772337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).