3-(methylamino)oxetan-3-ol

C4H9NO2 — CID 123559940

IUPAC3-(methylamino)oxetan-3-ol
SMILESCNC1(O)COC1
InChIInChI=1S/C4H9NO2/c1-5-4(6)2-7-3-4/h5-6H,2-3H2,1H3
InChIKeyYDEKWLMGXUXNJY-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.08
Rot. Bonds1

About 3-(methylamino)oxetan-3-ol

3-(methylamino)oxetan-3-ol (PubChem CID 123559940) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-(methylamino)oxetan-3-ol.

Molecular Properties

Compound Name3-(methylamino)oxetan-3-ol
PubChem CID123559940
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name3-(methylamino)oxetan-3-ol
SMILESCNC1(O)COC1
InChIInChI=1S/C4H9NO2/c1-5-4(6)2-7-3-4/h5-6H,2-3H2,1H3
InChIKeyYDEKWLMGXUXNJY-UHFFFAOYSA-N
XLogP-1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)oxetan-3-ol?
The IUPAC name of 3-(methylamino)oxetan-3-ol (CID 123559940) is 3-(methylamino)oxetan-3-ol.
What is the SMILES notation for 3-(methylamino)oxetan-3-ol?
The canonical SMILES for 3-(methylamino)oxetan-3-ol is CNC1(O)COC1.
What is the InChIKey of 3-(methylamino)oxetan-3-ol?
The InChIKey is YDEKWLMGXUXNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-4(6)2-7-3-4/h5-6H,2-3H2,1H3.
What are the key properties of 3-(methylamino)oxetan-3-ol?
3-(methylamino)oxetan-3-ol has a molecular weight of 103.12 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)oxetan-3-ol is sourced from PubChem (CID 123559940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).