3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one

C6H11NO5 — CID 5018466

IUPAC3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1NC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)
InChIKeyAJJXPYDGVXIEHE-UHFFFAOYSA-N
MW177.16 g/mol
LogP-3.44
Rot. Bonds1

About 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one

3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one (PubChem CID 5018466) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
PubChem CID5018466
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
SMILESO=C1NC(CO)C(O)C(O)C1O
InChIInChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12)
InChIKeyAJJXPYDGVXIEHE-UHFFFAOYSA-N
XLogP-3.44
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-3.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one 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 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one (CID 5018466) is 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one is O=C1NC(CO)C(O)C(O)C1O.
What is the InChIKey of 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
The InChIKey is AJJXPYDGVXIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-5,8-11H,1H2,(H,7,12).
What are the key properties of 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one?
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one has a molecular weight of 177.16 g/mol, XLogP of -3.44, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 5018466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).