2-(3-fluoroazetidin-3-yl)acetic acid

C5H8FNO2 — CID 115011263

IUPAC2-(3-fluoroazetidin-3-yl)acetic acid
SMILESO=C(O)CC1(F)CNC1
InChIInChI=1S/C5H8FNO2/c6-5(1-4(8)9)2-7-3-5/h7H,1-3H2,(H,8,9)
InChIKeyQBEKNCADVSALIV-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.23
Rot. Bonds2

About 2-(3-fluoroazetidin-3-yl)acetic acid

2-(3-fluoroazetidin-3-yl)acetic acid (PubChem CID 115011263) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoroazetidin-3-yl)acetic acid
PubChem CID115011263
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name2-(3-fluoroazetidin-3-yl)acetic acid
SMILESO=C(O)CC1(F)CNC1
InChIInChI=1S/C5H8FNO2/c6-5(1-4(8)9)2-7-3-5/h7H,1-3H2,(H,8,9)
InChIKeyQBEKNCADVSALIV-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azetidineacetic acid
CID 11768547
2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
2-(Azetidin-3-yl)propanoic acid
CID 75478613
(3S)-3-fluoro-4-(methylamino)butanoic acid
CID 118183216
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
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
3-Fluoro-4-(methylamino)butanoic acid
CID 105427828
3-(1-Fluoroethyl)azetidine-3-carboxylic acid
CID 105429000
2-Fluoro-2-(1-methylazetidin-3-yl)acetic acid
CID 105429001

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-3-yl)acetic acid?
The IUPAC name of 2-(3-fluoroazetidin-3-yl)acetic acid (CID 115011263) is 2-(3-fluoroazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoroazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluoroazetidin-3-yl)acetic acid is O=C(O)CC1(F)CNC1.
What is the InChIKey of 2-(3-fluoroazetidin-3-yl)acetic acid?
The InChIKey is QBEKNCADVSALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-5(1-4(8)9)2-7-3-5/h7H,1-3H2,(H,8,9).
What are the key properties of 2-(3-fluoroazetidin-3-yl)acetic acid?
2-(3-fluoroazetidin-3-yl)acetic acid has a molecular weight of 133.12 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-3-yl)acetic acid is sourced from PubChem (CID 115011263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).