5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one

C10H15N3O2 — CID 67659288

IUPAC5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one
SMILESCN1CC[C@H]1COc1cc(N)c[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-13-3-2-8(13)6-15-9-4-7(11)5-12-10(9)14/h4-5,8H,2-3,6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyQADAGWBVNRHSOK-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.04
Rot. Bonds3

About 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one

5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one (PubChem CID 67659288) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one
PubChem CID67659288
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one
SMILESCN1CC[C@H]1COc1cc(N)c[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-13-3-2-8(13)6-15-9-4-7(11)5-12-10(9)14/h4-5,8H,2-3,6,11H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyQADAGWBVNRHSOK-QMMMGPOBSA-N
XLogP0.04
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one (CID 67659288) is 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one is CN1CC[C@H]1COc1cc(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one?
The InChIKey is QADAGWBVNRHSOK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-3-2-8(13)6-15-9-4-7(11)5-12-10(9)14/h4-5,8H,2-3,6,11H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one?
5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[[(2S)-1-methylazetidin-2-yl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 67659288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).