3-pyridin-2-yloxyazetidine-1-carboxylic acid

C9H10N2O3 — CID 67143899

IUPAC3-pyridin-2-yloxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C9H10N2O3/c12-9(13)11-5-7(6-11)14-8-3-1-2-4-10-8/h1-4,7H,5-6H2,(H,12,13)
InChIKeyZMORRMSDMORMIX-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.82
Rot. Bonds2

About 3-pyridin-2-yloxyazetidine-1-carboxylic acid

3-pyridin-2-yloxyazetidine-1-carboxylic acid (PubChem CID 67143899) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-pyridin-2-yloxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yloxyazetidine-1-carboxylic acid
PubChem CID67143899
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-pyridin-2-yloxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C9H10N2O3/c12-9(13)11-5-7(6-11)14-8-3-1-2-4-10-8/h1-4,7H,5-6H2,(H,12,13)
InChIKeyZMORRMSDMORMIX-UHFFFAOYSA-N
XLogP0.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxyazetidine-1-carboxylic acid?
The IUPAC name of 3-pyridin-2-yloxyazetidine-1-carboxylic acid (CID 67143899) is 3-pyridin-2-yloxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yloxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yloxyazetidine-1-carboxylic acid is O=C(O)N1CC(Oc2ccccn2)C1.
What is the InChIKey of 3-pyridin-2-yloxyazetidine-1-carboxylic acid?
The InChIKey is ZMORRMSDMORMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-9(13)11-5-7(6-11)14-8-3-1-2-4-10-8/h1-4,7H,5-6H2,(H,12,13).
What are the key properties of 3-pyridin-2-yloxyazetidine-1-carboxylic acid?
3-pyridin-2-yloxyazetidine-1-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxyazetidine-1-carboxylic acid is sourced from PubChem (CID 67143899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).