5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid

C11H15NO5 — CID 81204669

IUPAC5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
SMILESCC1COC(CO)CN1c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-7-6-16-8(5-13)4-12(7)10-3-2-9(17-10)11(14)15/h2-3,7-8,13H,4-6H2,1H3,(H,14,15)
InChIKeyJNLZPFVUUVBVMU-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.56
Rot. Bonds3

About 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid

5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid (PubChem CID 81204669) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
PubChem CID81204669
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
SMILESCC1COC(CO)CN1c1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-7-6-16-8(5-13)4-12(7)10-3-2-9(17-10)11(14)15/h2-3,7-8,13H,4-6H2,1H3,(H,14,15)
InChIKeyJNLZPFVUUVBVMU-UHFFFAOYSA-N
XLogP0.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid (CID 81204669) is 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid is CC1COC(CO)CN1c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid?
The InChIKey is JNLZPFVUUVBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7-6-16-8(5-13)4-12(7)10-3-2-9(17-10)11(14)15/h2-3,7-8,13H,4-6H2,1H3,(H,14,15).
What are the key properties of 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid?
5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid is sourced from PubChem (CID 81204669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).