oxetan-3-ylmethylazanium formate

C5H11NO3 — CID 140644985

IUPACoxetan-3-ylmethylazanium formate
SMILESO=C[O-].[NH3+]CC1COC1
InChIInChI=1S/C4H9NO.CH2O2/c5-1-4-2-6-3-4;2-1-3/h4H,1-3,5H2;1H,(H,2,3)
InChIKeyUDNCZIFFNIZUHC-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.76
Rot. Bonds1

About oxetan-3-ylmethylazanium formate

oxetan-3-ylmethylazanium formate (PubChem CID 140644985) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is oxetan-3-ylmethylazanium formate.

Molecular Properties

Compound Nameoxetan-3-ylmethylazanium formate
PubChem CID140644985
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameoxetan-3-ylmethylazanium formate
SMILESO=C[O-].[NH3+]CC1COC1
InChIInChI=1S/C4H9NO.CH2O2/c5-1-4-2-6-3-4;2-1-3/h4H,1-3,5H2;1H,(H,2,3)
InChIKeyUDNCZIFFNIZUHC-UHFFFAOYSA-N
XLogP-2.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze oxetan-3-ylmethylazanium formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxetan-3-ylmethylazanium formate?
The IUPAC name of oxetan-3-ylmethylazanium formate (CID 140644985) is oxetan-3-ylmethylazanium formate.
What is the SMILES notation for oxetan-3-ylmethylazanium formate?
The canonical SMILES for oxetan-3-ylmethylazanium formate is O=C[O-].[NH3+]CC1COC1.
What is the InChIKey of oxetan-3-ylmethylazanium formate?
The InChIKey is UDNCZIFFNIZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH2O2/c5-1-4-2-6-3-4;2-1-3/h4H,1-3,5H2;1H,(H,2,3).
What are the key properties of oxetan-3-ylmethylazanium formate?
oxetan-3-ylmethylazanium formate has a molecular weight of 133.15 g/mol, XLogP of -2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethylazanium formate is sourced from PubChem (CID 140644985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).