(2R,3R)-3-fluoroazetidine-2-carboxylic acid

C4H6FNO2 — CID 55287234

IUPAC(2R,3R)-3-fluoroazetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H]1F
InChIInChI=1S/C4H6FNO2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyJLUJKKAXZDOQQF-GBXIJSLDSA-N
MW119.09 g/mol
LogP-0.62
Rot. Bonds1

About (2R,3R)-3-fluoroazetidine-2-carboxylic acid

(2R,3R)-3-fluoroazetidine-2-carboxylic acid (PubChem CID 55287234) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is (2R,3R)-3-fluoroazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-fluoroazetidine-2-carboxylic acid
PubChem CID55287234
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name(2R,3R)-3-fluoroazetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H]1F
InChIInChI=1S/C4H6FNO2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1H2,(H,7,8)/t2-,3+/m1/s1
InChIKeyJLUJKKAXZDOQQF-GBXIJSLDSA-N
XLogP-0.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-fluoroazetidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoroazetidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-fluoroazetidine-2-carboxylic acid (CID 55287234) is (2R,3R)-3-fluoroazetidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-fluoroazetidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-fluoroazetidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@H]1F.
What is the InChIKey of (2R,3R)-3-fluoroazetidine-2-carboxylic acid?
The InChIKey is JLUJKKAXZDOQQF-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H6FNO2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1H2,(H,7,8)/t2-,3+/m1/s1.
What are the key properties of (2R,3R)-3-fluoroazetidine-2-carboxylic acid?
(2R,3R)-3-fluoroazetidine-2-carboxylic acid has a molecular weight of 119.09 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoroazetidine-2-carboxylic acid is sourced from PubChem (CID 55287234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).