(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol

C6H11NO2 — CID 89313359

IUPAC(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol
SMILESOCC1=NCCC[C@@H]1O
InChIInChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h6,8-9H,1-4H2/t6-/m0/s1
InChIKeyUPHIFXDJUSLXEX-LURJTMIESA-N
MW129.16 g/mol
LogP-0.43
Rot. Bonds1

About (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol

(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol (PubChem CID 89313359) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol
PubChem CID89313359
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol
SMILESOCC1=NCCC[C@@H]1O
InChIInChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h6,8-9H,1-4H2/t6-/m0/s1
InChIKeyUPHIFXDJUSLXEX-LURJTMIESA-N
XLogP-0.43
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol?
The IUPAC name of (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol (CID 89313359) is (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol.
What is the SMILES notation for (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol?
The canonical SMILES for (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol is OCC1=NCCC[C@@H]1O.
What is the InChIKey of (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol?
The InChIKey is UPHIFXDJUSLXEX-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h6,8-9H,1-4H2/t6-/m0/s1.
What are the key properties of (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol?
(5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol has a molecular weight of 129.16 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-(hydroxymethyl)-2,3,4,5-tetrahydropyridin-5-ol is sourced from PubChem (CID 89313359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).