ethyl 2-(azetidin-3-yl)acetate

C7H13NO2 — CID 54328202

IUPACethyl 2-(azetidin-3-yl)acetate
SMILESCCOC(=O)CC1CNC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)3-6-4-8-5-6/h6,8H,2-5H2,1H3
InChIKeySWLOGUOQYIIALV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds3

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

ethyl 2-(azetidin-3-yl)acetate (PubChem CID 54328202) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-(azetidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(azetidin-3-yl)acetate
PubChem CID54328202
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 2-(azetidin-3-yl)acetate
SMILESCCOC(=O)CC1CNC1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)3-6-4-8-5-6/h6,8H,2-5H2,1H3
InChIKeySWLOGUOQYIIALV-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(azetidin-3-yl)acetate?
The IUPAC name of ethyl 2-(azetidin-3-yl)acetate (CID 54328202) is ethyl 2-(azetidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(azetidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(azetidin-3-yl)acetate is CCOC(=O)CC1CNC1.
What is the InChIKey of ethyl 2-(azetidin-3-yl)acetate?
The InChIKey is SWLOGUOQYIIALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)3-6-4-8-5-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl 2-(azetidin-3-yl)acetate?
ethyl 2-(azetidin-3-yl)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azetidin-3-yl)acetate is sourced from PubChem (CID 54328202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).