ethyl 3-(2-oxoazetidin-1-yl)propanoate

C8H13NO3 — CID 19382608

IUPACethyl 3-(2-oxoazetidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)4-6-9-5-3-7(9)10/h2-6H2,1H3
InChIKeyUYRYSQXDBFGFAB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds4

About ethyl 3-(2-oxoazetidin-1-yl)propanoate

ethyl 3-(2-oxoazetidin-1-yl)propanoate (PubChem CID 19382608) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 3-(2-oxoazetidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-oxoazetidin-1-yl)propanoate
PubChem CID19382608
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 3-(2-oxoazetidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)4-6-9-5-3-7(9)10/h2-6H2,1H3
InChIKeyUYRYSQXDBFGFAB-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxoazetidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-oxoazetidin-1-yl)propanoate (CID 19382608) is ethyl 3-(2-oxoazetidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-oxoazetidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-oxoazetidin-1-yl)propanoate is CCOC(=O)CCN1CCC1=O.
What is the InChIKey of ethyl 3-(2-oxoazetidin-1-yl)propanoate?
The InChIKey is UYRYSQXDBFGFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)4-6-9-5-3-7(9)10/h2-6H2,1H3.
What are the key properties of ethyl 3-(2-oxoazetidin-1-yl)propanoate?
ethyl 3-(2-oxoazetidin-1-yl)propanoate has a molecular weight of 171.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxoazetidin-1-yl)propanoate is sourced from PubChem (CID 19382608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).