2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol

C8H16N2O2 — CID 79503440

IUPAC2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1=NCCCC1
InChIInChI=1S/C8H16N2O2/c11-5-7(6-12)10-8-3-1-2-4-9-8/h7,11-12H,1-6H2,(H,9,10)
InChIKeyZSZKJYURHJBORE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol

2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol (PubChem CID 79503440) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol
PubChem CID79503440
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1=NCCCC1
InChIInChI=1S/C8H16N2O2/c11-5-7(6-12)10-8-3-1-2-4-9-8/h7,11-12H,1-6H2,(H,9,10)
InChIKeyZSZKJYURHJBORE-UHFFFAOYSA-N
XLogP-0.49
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol 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 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol?
The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol (CID 79503440) is 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol is OCC(CO)NC1=NCCCC1.
What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol?
The InChIKey is ZSZKJYURHJBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-5-7(6-12)10-8-3-1-2-4-9-8/h7,11-12H,1-6H2,(H,9,10).
What are the key properties of 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol?
2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol has a molecular weight of 172.23 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,3-diol is sourced from PubChem (CID 79503440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).