2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid

C9H15NO3 — CID 102659252

IUPAC2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid
SMILESC=CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-3-4-10-6-9(2,7-10)13-5-8(11)12/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyYZUFPVGDOXJUJM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.35
Rot. Bonds5

About 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid

2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid (PubChem CID 102659252) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid
PubChem CID102659252
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid
SMILESC=CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-3-4-10-6-9(2,7-10)13-5-8(11)12/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyYZUFPVGDOXJUJM-UHFFFAOYSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid (CID 102659252) is 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid is C=CCN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid?
The InChIKey is YZUFPVGDOXJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-10-6-9(2,7-10)13-5-8(11)12/h3H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid?
2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102659252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).