methyl azetidine-3-carboxylate;hydrochloride

C5H10ClNO2 — CID 21100040

IUPACmethyl azetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNC1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKeyUOCWTLBPYROHEF-UHFFFAOYSA-N
MW151.59 g/mol
LogP-0.20
Rot. Bonds1

About methyl azetidine-3-carboxylate;hydrochloride

methyl azetidine-3-carboxylate;hydrochloride (PubChem CID 21100040) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is methyl azetidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl azetidine-3-carboxylate;hydrochloride
PubChem CID21100040
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Namemethyl azetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNC1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKeyUOCWTLBPYROHEF-UHFFFAOYSA-N
XLogP-0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl azetidine-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

Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
Methyl 3-(methylamino)propanoate
CID 12414198
Methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
Methyl 3-(methylamino)propanoate hydrochloride
CID 12414199
Azetidine-3-carboxylic acid--hydrogen chloride (1/1)
CID 13374356
tert-Butyl azetidine-3-carboxylate
CID 21828700
Ethyl azetidine-3-carboxylate hydrochloride
CID 44828820
Ethyl 3-methylazetidine-3-carboxylate
CID 55288359
tert-Butyl azetidine-3-carboxylate hydrochloride
CID 67346984
Methyl 3-fluoroazetidine-3-carboxylate hydrochloride
CID 89401741
Methyl azetidine-3-carboxylate
CID 20132751
Azetidin-1-ium-3-carboxylate
CID 7019175

Frequently Asked Questions

What is the IUPAC name of methyl azetidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl azetidine-3-carboxylate;hydrochloride (CID 21100040) is methyl azetidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl azetidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl azetidine-3-carboxylate;hydrochloride is COC(=O)C1CNC1.Cl.
What is the InChIKey of methyl azetidine-3-carboxylate;hydrochloride?
The InChIKey is UOCWTLBPYROHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H.
What are the key properties of methyl azetidine-3-carboxylate;hydrochloride?
methyl azetidine-3-carboxylate;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl azetidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 21100040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).