[3-(aminomethyl)oxetan-3-yl]methanol

C5H11NO2 — CID 18706850

IUPAC[3-(aminomethyl)oxetan-3-yl]methanol
SMILESNCC1(CO)COC1
InChIInChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2
InChIKeyGGYZOSLAJSUXRM-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.05
Rot. Bonds2

About [3-(aminomethyl)oxetan-3-yl]methanol

[3-(aminomethyl)oxetan-3-yl]methanol (PubChem CID 18706850) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]methanol
PubChem CID18706850
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[3-(aminomethyl)oxetan-3-yl]methanol
SMILESNCC1(CO)COC1
InChIInChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2
InChIKeyGGYZOSLAJSUXRM-UHFFFAOYSA-N
XLogP-1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]methanol (CID 18706850) is [3-(aminomethyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]methanol is NCC1(CO)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]methanol?
The InChIKey is GGYZOSLAJSUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-1-5(2-7)3-8-4-5/h7H,1-4,6H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]methanol?
[3-(aminomethyl)oxetan-3-yl]methanol has a molecular weight of 117.15 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 18706850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).