2-(3-propoxyazetidin-3-yl)acetic acid

C8H15NO3 — CID 107140834

IUPAC2-(3-propoxyazetidin-3-yl)acetic acid
SMILESCCCOC1(CC(=O)O)CNC1
InChIInChI=1S/C8H15NO3/c1-2-3-12-8(4-7(10)11)5-9-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyTZXPJGYXOUPBLG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds5

About 2-(3-propoxyazetidin-3-yl)acetic acid

2-(3-propoxyazetidin-3-yl)acetic acid (PubChem CID 107140834) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-propoxyazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propoxyazetidin-3-yl)acetic acid
PubChem CID107140834
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-propoxyazetidin-3-yl)acetic acid
SMILESCCCOC1(CC(=O)O)CNC1
InChIInChI=1S/C8H15NO3/c1-2-3-12-8(4-7(10)11)5-9-6-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyTZXPJGYXOUPBLG-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyazetidin-3-yl)acetic acid?
The IUPAC name of 2-(3-propoxyazetidin-3-yl)acetic acid (CID 107140834) is 2-(3-propoxyazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-propoxyazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-propoxyazetidin-3-yl)acetic acid is CCCOC1(CC(=O)O)CNC1.
What is the InChIKey of 2-(3-propoxyazetidin-3-yl)acetic acid?
The InChIKey is TZXPJGYXOUPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-12-8(4-7(10)11)5-9-6-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(3-propoxyazetidin-3-yl)acetic acid?
2-(3-propoxyazetidin-3-yl)acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyazetidin-3-yl)acetic acid is sourced from PubChem (CID 107140834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).