5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

C11H15NO4 — CID 112626150

IUPAC5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC(CO)C2)c1
InChIInChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-10-3-9(7-16-10)11(14)15/h3,7-8,13H,1-2,4-6H2,(H,14,15)
InChIKeyCSSKNKABTPWMOE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.79
Rot. Bonds4

About 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid

5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 112626150) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
PubChem CID112626150
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC(CO)C2)c1
InChIInChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-10-3-9(7-16-10)11(14)15/h3,7-8,13H,1-2,4-6H2,(H,14,15)
InChIKeyCSSKNKABTPWMOE-UHFFFAOYSA-N
XLogP0.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid (CID 112626150) is 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CN2CCC(CO)C2)c1.
What is the InChIKey of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
The InChIKey is CSSKNKABTPWMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-10-3-9(7-16-10)11(14)15/h3,7-8,13H,1-2,4-6H2,(H,14,15).
What are the key properties of 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid?
5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 112626150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).