3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid

C8H8FN3O3 — CID 91547195

IUPAC3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C8H8FN3O3/c9-5-1-10-7(11-2-5)15-6-3-12(4-6)8(13)14/h1-2,6H,3-4H2,(H,13,14)
InChIKeyDSAUQTPSAVYENH-UHFFFAOYSA-N
MW213.17 g/mol
LogP0.36
Rot. Bonds2

About 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid

3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid (PubChem CID 91547195) has the molecular formula C8H8FN3O3 and a molecular weight of 213.17 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid
PubChem CID91547195
Molecular FormulaC8H8FN3O3
Molecular Weight213.17 g/mol
Exact Mass213.05
IUPAC Name3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C8H8FN3O3/c9-5-1-10-7(11-2-5)15-6-3-12(4-6)8(13)14/h1-2,6H,3-4H2,(H,13,14)
InChIKeyDSAUQTPSAVYENH-UHFFFAOYSA-N
XLogP0.36
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid (CID 91547195) is 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid is O=C(O)N1CC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
The InChIKey is DSAUQTPSAVYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3/c9-5-1-10-7(11-2-5)15-6-3-12(4-6)8(13)14/h1-2,6H,3-4H2,(H,13,14).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid?
3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid has a molecular weight of 213.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid is sourced from PubChem (CID 91547195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).