3-(aminomethoxy)azetidin-2-one

C4H8N2O2 — CID 70579453

IUPAC3-(aminomethoxy)azetidin-2-one
SMILESNCOC1CNC1=O
InChIInChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7)
InChIKeyIDZAIFTXZNKWRP-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.58
Rot. Bonds2

About 3-(aminomethoxy)azetidin-2-one

3-(aminomethoxy)azetidin-2-one (PubChem CID 70579453) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-(aminomethoxy)azetidin-2-one.

Molecular Properties

Compound Name3-(aminomethoxy)azetidin-2-one
PubChem CID70579453
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-(aminomethoxy)azetidin-2-one
SMILESNCOC1CNC1=O
InChIInChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7)
InChIKeyIDZAIFTXZNKWRP-UHFFFAOYSA-N
XLogP-1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethoxy)azetidin-2-one?
The IUPAC name of 3-(aminomethoxy)azetidin-2-one (CID 70579453) is 3-(aminomethoxy)azetidin-2-one.
What is the SMILES notation for 3-(aminomethoxy)azetidin-2-one?
The canonical SMILES for 3-(aminomethoxy)azetidin-2-one is NCOC1CNC1=O.
What is the InChIKey of 3-(aminomethoxy)azetidin-2-one?
The InChIKey is IDZAIFTXZNKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-2-8-3-1-6-4(3)7/h3H,1-2,5H2,(H,6,7).
What are the key properties of 3-(aminomethoxy)azetidin-2-one?
3-(aminomethoxy)azetidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethoxy)azetidin-2-one is sourced from PubChem (CID 70579453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).