methyl 2-methylazetidine-3-carboxylate;hydrochloride

C6H12ClNO2 — CID 118796246

IUPACmethyl 2-methylazetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNC1C.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-5(3-7-4)6(8)9-2;/h4-5,7H,3H2,1-2H3;1H
InChIKeyTVJIWRQAMQUMPO-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.19
Rot. Bonds1

About methyl 2-methylazetidine-3-carboxylate;hydrochloride

methyl 2-methylazetidine-3-carboxylate;hydrochloride (PubChem CID 118796246) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl 2-methylazetidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methylazetidine-3-carboxylate;hydrochloride
PubChem CID118796246
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl 2-methylazetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNC1C.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-5(3-7-4)6(8)9-2;/h4-5,7H,3H2,1-2H3;1H
InChIKeyTVJIWRQAMQUMPO-UHFFFAOYSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-methylazetidine-3-carboxylate;hydrochloride 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

(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
CID 155943979
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
methyl 2-(2-methylazetidin-3-yl)acetate
CID 171808682
methyl (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carboxylate
CID 121227040

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylazetidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methylazetidine-3-carboxylate;hydrochloride (CID 118796246) is methyl 2-methylazetidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methylazetidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methylazetidine-3-carboxylate;hydrochloride is COC(=O)C1CNC1C.Cl.
What is the InChIKey of methyl 2-methylazetidine-3-carboxylate;hydrochloride?
The InChIKey is TVJIWRQAMQUMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-4-5(3-7-4)6(8)9-2;/h4-5,7H,3H2,1-2H3;1H.
What are the key properties of methyl 2-methylazetidine-3-carboxylate;hydrochloride?
methyl 2-methylazetidine-3-carboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylazetidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 118796246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).