(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid

C5H6F3NO2 — CID 122462389

IUPAC(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)2-1-9-3(2)4(10)11/h2-3,9H,1H2,(H,10,11)/t2-,3-/m0/s1
InChIKeyJOVMNJBTTQXOQK-HRFVKAFMSA-N
MW169.10 g/mol
LogP0.22
Rot. Bonds1

About (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid

(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid (PubChem CID 122462389) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
PubChem CID122462389
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)2-1-9-3(2)4(10)11/h2-3,9H,1H2,(H,10,11)/t2-,3-/m0/s1
InChIKeyJOVMNJBTTQXOQK-HRFVKAFMSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-(trifluoromethyl)azetidine-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

Related Compounds

2-Azetidinecarboxylic acid, (S)-
CID 16486
Azetidinecarboxylic Acid
CID 17288
2-Azetidinecarboxylic acid, (+)-
CID 637601
3-Fluoroazetidine-2-carboxylic acid
CID 21427937
(2R)-2-(Trifluoromethyl)-2-azetidinecarboxylic acid
CID 126970334
3-Methyl-2-(1,2,2-trifluoroethylamino)butanoic acid
CID 88040046
(2S)-3-methyl-2-[(2,2,2-trifluoroethyl)amino]butanoic acid
CID 88040047
(2R)-azetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 135241683
CID 135241686
CID 135241686
(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid
CID 168737374
trans-3-Methylazetidine-2-carboxylic acid
CID 54425638
N-(2,2,2-Trifluoroethyl)valine
CID 43468280

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid (CID 122462389) is (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid?
The InChIKey is JOVMNJBTTQXOQK-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)2-1-9-3(2)4(10)11/h2-3,9H,1H2,(H,10,11)/t2-,3-/m0/s1.
What are the key properties of (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid?
(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid has a molecular weight of 169.10 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 122462389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).