(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 70559346

IUPAC(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
SMILESCN1CC[C@]1(C)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(5(8)9)3-4-7(6)2;/h3-4H2,1-2H3,(H,8,9);1H/t6-;/m1./s1
InChIKeyZWLRSRZCMGMWBY-FYZOBXCZSA-N
MW165.62 g/mol
LogP0.59
Rot. Bonds1

About (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride

(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride (PubChem CID 70559346) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
PubChem CID70559346
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
SMILESCN1CC[C@]1(C)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(5(8)9)3-4-7(6)2;/h3-4H2,1-2H3,(H,8,9);1H/t6-;/m1./s1
InChIKeyZWLRSRZCMGMWBY-FYZOBXCZSA-N
XLogP0.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride 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)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride (CID 70559346) is (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride is CN1CC[C@]1(C)C(=O)O.Cl.
What is the InChIKey of (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride?
The InChIKey is ZWLRSRZCMGMWBY-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-6(5(8)9)3-4-7(6)2;/h3-4H2,1-2H3,(H,8,9);1H/t6-;/m1./s1.
What are the key properties of (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride?
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70559346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).