azetidin-3-ylmethyl propanoate

C7H13NO2 — CID 89024963

IUPACazetidin-3-ylmethyl propanoate
SMILESCCC(=O)OCC1CNC1
InChIInChI=1S/C7H13NO2/c1-2-7(9)10-5-6-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyWJHNXAGXMFKAOZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds3

About azetidin-3-ylmethyl propanoate

azetidin-3-ylmethyl propanoate (PubChem CID 89024963) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is azetidin-3-ylmethyl propanoate.

Molecular Properties

Compound Nameazetidin-3-ylmethyl propanoate
PubChem CID89024963
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameazetidin-3-ylmethyl propanoate
SMILESCCC(=O)OCC1CNC1
InChIInChI=1S/C7H13NO2/c1-2-7(9)10-5-6-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyWJHNXAGXMFKAOZ-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 azetidin-3-ylmethyl propanoate?
The IUPAC name of azetidin-3-ylmethyl propanoate (CID 89024963) is azetidin-3-ylmethyl propanoate.
What is the SMILES notation for azetidin-3-ylmethyl propanoate?
The canonical SMILES for azetidin-3-ylmethyl propanoate is CCC(=O)OCC1CNC1.
What is the InChIKey of azetidin-3-ylmethyl propanoate?
The InChIKey is WJHNXAGXMFKAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(9)10-5-6-3-8-4-6/h6,8H,2-5H2,1H3.
What are the key properties of azetidin-3-ylmethyl propanoate?
azetidin-3-ylmethyl propanoate 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 azetidin-3-ylmethyl propanoate is sourced from PubChem (CID 89024963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).