3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

C11H15NO4 — CID 103356684

IUPAC3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1(O)CCN(Cc2ccoc2C(=O)O)C1
InChIInChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyOIKQNTRBDYOCPQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.93
Rot. Bonds3

About 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid

3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 103356684) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID103356684
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1(O)CCN(Cc2ccoc2C(=O)O)C1
InChIInChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14)
InChIKeyOIKQNTRBDYOCPQ-UHFFFAOYSA-N
XLogP0.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]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 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid (CID 103356684) is 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is CC1(O)CCN(Cc2ccoc2C(=O)O)C1.
What is the InChIKey of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is OIKQNTRBDYOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(15)3-4-12(7-11)6-8-2-5-16-9(8)10(13)14/h2,5,15H,3-4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103356684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).