tert-butyl 3-aminooxyazetidine-1-carboxylate

C8H16N2O3 — CID 69224982

IUPACtert-butyl 3-aminooxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(ON)C1
InChIInChI=1S/C8H16N2O3/c1-8(2,3)12-7(11)10-4-6(5-10)13-9/h6H,4-5,9H2,1-3H3
InChIKeyXKVPICCSCUMOAE-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.50
Rot. Bonds1

About tert-butyl 3-aminooxyazetidine-1-carboxylate

tert-butyl 3-aminooxyazetidine-1-carboxylate (PubChem CID 69224982) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl 3-aminooxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-aminooxyazetidine-1-carboxylate
PubChem CID69224982
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl 3-aminooxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(ON)C1
InChIInChI=1S/C8H16N2O3/c1-8(2,3)12-7(11)10-4-6(5-10)13-9/h6H,4-5,9H2,1-3H3
InChIKeyXKVPICCSCUMOAE-UHFFFAOYSA-N
XLogP0.50
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-aminooxyazetidine-1-carboxylate 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 tert-butyl 3-aminooxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-aminooxyazetidine-1-carboxylate (CID 69224982) is tert-butyl 3-aminooxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-aminooxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-aminooxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(ON)C1.
What is the InChIKey of tert-butyl 3-aminooxyazetidine-1-carboxylate?
The InChIKey is XKVPICCSCUMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)12-7(11)10-4-6(5-10)13-9/h6H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 3-aminooxyazetidine-1-carboxylate?
tert-butyl 3-aminooxyazetidine-1-carboxylate has a molecular weight of 188.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminooxyazetidine-1-carboxylate is sourced from PubChem (CID 69224982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).