5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid

C11H15NO4 — CID 61434674

IUPAC5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCCC(O)C2)o1
InChIInChI=1S/C11H15NO4/c13-8-2-1-5-12(6-8)7-9-3-4-10(16-9)11(14)15/h3-4,8,13H,1-2,5-7H2,(H,14,15)
InChIKeyUUUYHTCRYMHJEG-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.93
Rot. Bonds3

About 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid

5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 61434674) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID61434674
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCCC(O)C2)o1
InChIInChI=1S/C11H15NO4/c13-8-2-1-5-12(6-8)7-9-3-4-10(16-9)11(14)15/h3-4,8,13H,1-2,5-7H2,(H,14,15)
InChIKeyUUUYHTCRYMHJEG-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 5-[(3-hydroxypiperidin-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

Related Compounds

oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
5-[[4-(2-carboxyethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid
CID 82323103
(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
CID 95857196
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid (CID 61434674) is 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCCC(O)C2)o1.
What is the InChIKey of 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is UUUYHTCRYMHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-2-1-5-12(6-8)7-9-3-4-10(16-9)11(14)15/h3-4,8,13H,1-2,5-7H2,(H,14,15).
What are the key properties of 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid?
5-[(3-hydroxypiperidin-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 5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 61434674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).