2-(azetidin-3-yl)-2-fluoroacetic acid

C5H8FNO2 — CID 105427707

IUPAC2-(azetidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CNC1
InChIInChI=1S/C5H8FNO2/c6-4(5(8)9)3-1-7-2-3/h3-4,7H,1-2H2,(H,8,9)
InChIKeyGLIZPVGFQMDMHL-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.37
Rot. Bonds2

About 2-(azetidin-3-yl)-2-fluoroacetic acid

2-(azetidin-3-yl)-2-fluoroacetic acid (PubChem CID 105427707) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2-fluoroacetic acid
PubChem CID105427707
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-(azetidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CNC1
InChIInChI=1S/C5H8FNO2/c6-4(5(8)9)3-1-7-2-3/h3-4,7H,1-2H2,(H,8,9)
InChIKeyGLIZPVGFQMDMHL-UHFFFAOYSA-N
XLogP-0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azetidineacetic acid
CID 11768547
Methyl 2-(azetidin-3-yl)acetate; trifluoroacetic acid
CID 66521690
2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
2-(Azetidin-3-yl)propanoic acid
CID 75478613
[2-(Azetidin-3-yl)acetyl] 2,2,2-trifluoroacetate
CID 87273895
(3S)-3-fluoro-4-(methylamino)butanoic acid
CID 118183216
2-(Azetidin-3-yl)acetic acid;methyl 2,2,2-trifluoroacetate
CID 160756036
4-(2-Fluoroethylamino)butanoic acid
CID 80694624
2-[1-(2-Fluoroethyl)azetidin-3-yl]acetic acid
CID 80695766
4-(3-Fluoropropylamino)butanoic acid
CID 81113756

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(azetidin-3-yl)-2-fluoroacetic acid (CID 105427707) is 2-(azetidin-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-yl)-2-fluoroacetic acid is O=C(O)C(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2-fluoroacetic acid?
The InChIKey is GLIZPVGFQMDMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4(5(8)9)3-1-7-2-3/h3-4,7H,1-2H2,(H,8,9).
What are the key properties of 2-(azetidin-3-yl)-2-fluoroacetic acid?
2-(azetidin-3-yl)-2-fluoroacetic acid has a molecular weight of 133.12 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 105427707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).