2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid

C8H15NO3 — CID 79688732

IUPAC2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid
SMILESCC1CN(CCOCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-7-4-9(5-7)2-3-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyGBXSYYJOGIKSDN-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.04
Rot. Bonds5

About 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid

2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid (PubChem CID 79688732) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid
PubChem CID79688732
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid
SMILESCC1CN(CCOCC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-7-4-9(5-7)2-3-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyGBXSYYJOGIKSDN-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid (CID 79688732) is 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid is CC1CN(CCOCC(=O)O)C1.
What is the InChIKey of 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid?
The InChIKey is GBXSYYJOGIKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7-4-9(5-7)2-3-12-6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid?
2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylazetidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 79688732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).