oxetan-3-yl N-aminocarbamate

C4H8N2O3 — CID 67681212

IUPACoxetan-3-yl N-aminocarbamate
SMILESNNC(=O)OC1COC1
InChIInChI=1S/C4H8N2O3/c5-6-4(7)9-3-1-8-2-3/h3H,1-2,5H2,(H,6,7)
InChIKeyRGQUVVVQSATTDV-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.01
Rot. Bonds1

About oxetan-3-yl N-aminocarbamate

oxetan-3-yl N-aminocarbamate (PubChem CID 67681212) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is oxetan-3-yl N-aminocarbamate.

Molecular Properties

Compound Nameoxetan-3-yl N-aminocarbamate
PubChem CID67681212
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Nameoxetan-3-yl N-aminocarbamate
SMILESNNC(=O)OC1COC1
InChIInChI=1S/C4H8N2O3/c5-6-4(7)9-3-1-8-2-3/h3H,1-2,5H2,(H,6,7)
InChIKeyRGQUVVVQSATTDV-UHFFFAOYSA-N
XLogP-1.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-aminocarbamate?
The IUPAC name of oxetan-3-yl N-aminocarbamate (CID 67681212) is oxetan-3-yl N-aminocarbamate.
What is the SMILES notation for oxetan-3-yl N-aminocarbamate?
The canonical SMILES for oxetan-3-yl N-aminocarbamate is NNC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl N-aminocarbamate?
The InChIKey is RGQUVVVQSATTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-6-4(7)9-3-1-8-2-3/h3H,1-2,5H2,(H,6,7).
What are the key properties of oxetan-3-yl N-aminocarbamate?
oxetan-3-yl N-aminocarbamate has a molecular weight of 132.12 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl N-aminocarbamate is sourced from PubChem (CID 67681212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).