3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one

C10H15N3O2 — CID 138585547

IUPAC3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cccn(CCN2CC(O)C2)c1=O
InChIInChI=1S/C10H15N3O2/c11-9-2-1-3-13(10(9)15)5-4-12-6-8(14)7-12/h1-3,8,14H,4-7,11H2
InChIKeyYXCWIAJQFXQVAN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.89
Rot. Bonds3

About 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one

3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one (PubChem CID 138585547) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one
PubChem CID138585547
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cccn(CCN2CC(O)C2)c1=O
InChIInChI=1S/C10H15N3O2/c11-9-2-1-3-13(10(9)15)5-4-12-6-8(14)7-12/h1-3,8,14H,4-7,11H2
InChIKeyYXCWIAJQFXQVAN-UHFFFAOYSA-N
XLogP-0.89
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one (CID 138585547) is 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one is Nc1cccn(CCN2CC(O)C2)c1=O.
What is the InChIKey of 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is YXCWIAJQFXQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9-2-1-3-13(10(9)15)5-4-12-6-8(14)7-12/h1-3,8,14H,4-7,11H2.
What are the key properties of 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one?
3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-hydroxyazetidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 138585547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).