[3-(hydroxymethyl)oxetan-3-yl]azanium

C4H10NO2+ — CID 86332738

IUPAC[3-(hydroxymethyl)oxetan-3-yl]azanium
SMILES[NH3+]C1(CO)COC1
InChIInChI=1S/C4H9NO2/c5-4(1-6)2-7-3-4/h6H,1-3,5H2/p+1
InChIKeyHBGXGFLFLLDTML-UHFFFAOYSA-O
MW104.13 g/mol
LogP-2.01
Rot. Bonds1

About [3-(hydroxymethyl)oxetan-3-yl]azanium

[3-(hydroxymethyl)oxetan-3-yl]azanium (PubChem CID 86332738) has the molecular formula C4H10NO2+ and a molecular weight of 104.13 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]azanium.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]azanium
PubChem CID86332738
Molecular FormulaC4H10NO2+
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]azanium
SMILES[NH3+]C1(CO)COC1
InChIInChI=1S/C4H9NO2/c5-4(1-6)2-7-3-4/h6H,1-3,5H2/p+1
InChIKeyHBGXGFLFLLDTML-UHFFFAOYSA-O
XLogP-2.01
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]azanium?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]azanium (CID 86332738) is [3-(hydroxymethyl)oxetan-3-yl]azanium.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]azanium?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]azanium is [NH3+]C1(CO)COC1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]azanium?
The InChIKey is HBGXGFLFLLDTML-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO2/c5-4(1-6)2-7-3-4/h6H,1-3,5H2/p+1.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]azanium?
[3-(hydroxymethyl)oxetan-3-yl]azanium has a molecular weight of 104.13 g/mol, XLogP of -2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]azanium is sourced from PubChem (CID 86332738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).