2-(2-oxoazetidin-3-yl)ethyl acetate

C7H11NO3 — CID 19993992

IUPAC2-(2-oxoazetidin-3-yl)ethyl acetate
SMILESCC(=O)OCCC1CNC1=O
InChIInChI=1S/C7H11NO3/c1-5(9)11-3-2-6-4-8-7(6)10/h6H,2-4H2,1H3,(H,8,10)
InChIKeyMJOAANAWYAULKB-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.31
Rot. Bonds3

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

2-(2-oxoazetidin-3-yl)ethyl acetate (PubChem CID 19993992) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2-oxoazetidin-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-oxoazetidin-3-yl)ethyl acetate
PubChem CID19993992
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(2-oxoazetidin-3-yl)ethyl acetate
SMILESCC(=O)OCCC1CNC1=O
InChIInChI=1S/C7H11NO3/c1-5(9)11-3-2-6-4-8-7(6)10/h6H,2-4H2,1H3,(H,8,10)
InChIKeyMJOAANAWYAULKB-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-3-yl)ethyl acetate?
The IUPAC name of 2-(2-oxoazetidin-3-yl)ethyl acetate (CID 19993992) is 2-(2-oxoazetidin-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2-oxoazetidin-3-yl)ethyl acetate?
The canonical SMILES for 2-(2-oxoazetidin-3-yl)ethyl acetate is CC(=O)OCCC1CNC1=O.
What is the InChIKey of 2-(2-oxoazetidin-3-yl)ethyl acetate?
The InChIKey is MJOAANAWYAULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)11-3-2-6-4-8-7(6)10/h6H,2-4H2,1H3,(H,8,10).
What are the key properties of 2-(2-oxoazetidin-3-yl)ethyl acetate?
2-(2-oxoazetidin-3-yl)ethyl acetate has a molecular weight of 157.17 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-3-yl)ethyl acetate is sourced from PubChem (CID 19993992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).