ethyl 2-(azetidin-3-yloxy)acetate

C7H13NO3 — CID 53419428

IUPACethyl 2-(azetidin-3-yloxy)acetate
SMILESCCOC(=O)COC1CNC1
InChIInChI=1S/C7H13NO3/c1-2-10-7(9)5-11-6-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyJSKRHXZUCULZGA-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds4

About ethyl 2-(azetidin-3-yloxy)acetate

ethyl 2-(azetidin-3-yloxy)acetate (PubChem CID 53419428) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-(azetidin-3-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(azetidin-3-yloxy)acetate
PubChem CID53419428
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-(azetidin-3-yloxy)acetate
SMILESCCOC(=O)COC1CNC1
InChIInChI=1S/C7H13NO3/c1-2-10-7(9)5-11-6-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyJSKRHXZUCULZGA-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(azetidin-3-yloxy)acetate 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 ethyl 2-(azetidin-3-yloxy)acetate?
The IUPAC name of ethyl 2-(azetidin-3-yloxy)acetate (CID 53419428) is ethyl 2-(azetidin-3-yloxy)acetate.
What is the SMILES notation for ethyl 2-(azetidin-3-yloxy)acetate?
The canonical SMILES for ethyl 2-(azetidin-3-yloxy)acetate is CCOC(=O)COC1CNC1.
What is the InChIKey of ethyl 2-(azetidin-3-yloxy)acetate?
The InChIKey is JSKRHXZUCULZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-10-7(9)5-11-6-3-8-4-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl 2-(azetidin-3-yloxy)acetate?
ethyl 2-(azetidin-3-yloxy)acetate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azetidin-3-yloxy)acetate is sourced from PubChem (CID 53419428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).