methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride

C7H12ClNO2 — CID 69499214

IUPACmethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC2CC21.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H
InChIKeyWYQMWVWFYJQAIB-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.19
Rot. Bonds1

About methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride

methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride (PubChem CID 69499214) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
PubChem CID69499214
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namemethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC2CC21.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H
InChIKeyWYQMWVWFYJQAIB-UHFFFAOYSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-azabicyclo[3.1.0]hexane-2-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride (CID 69499214) is methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride is COC(=O)C1NCC2CC21.Cl.
What is the InChIKey of methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The InChIKey is WYQMWVWFYJQAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H.
What are the key properties of methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride has a molecular weight of 177.63 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 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride is sourced from PubChem (CID 69499214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).