azetidin-3-yl propanoate

C6H11NO2 — CID 53409716

IUPACazetidin-3-yl propanoate
SMILESCCC(=O)OC1CNC1
InChIInChI=1S/C6H11NO2/c1-2-6(8)9-5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyTZGHYXIOSCZIGJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds2

About azetidin-3-yl propanoate

azetidin-3-yl propanoate (PubChem CID 53409716) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is azetidin-3-yl propanoate.

Molecular Properties

Compound Nameazetidin-3-yl propanoate
PubChem CID53409716
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameazetidin-3-yl propanoate
SMILESCCC(=O)OC1CNC1
InChIInChI=1S/C6H11NO2/c1-2-6(8)9-5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKeyTZGHYXIOSCZIGJ-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl propanoate?
The IUPAC name of azetidin-3-yl propanoate (CID 53409716) is azetidin-3-yl propanoate.
What is the SMILES notation for azetidin-3-yl propanoate?
The canonical SMILES for azetidin-3-yl propanoate is CCC(=O)OC1CNC1.
What is the InChIKey of azetidin-3-yl propanoate?
The InChIKey is TZGHYXIOSCZIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-6(8)9-5-3-7-4-5/h5,7H,2-4H2,1H3.
What are the key properties of azetidin-3-yl propanoate?
azetidin-3-yl propanoate has a molecular weight of 129.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl propanoate is sourced from PubChem (CID 53409716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).