methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride

C9H16ClNO2 — CID 160985459

IUPACmethyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CC2CNC1C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)4-7-2-6-3-8(7)10-5-6;/h6-8,10H,2-5H2,1H3;1H
InChIKeyDWZKTHOSBXDWOX-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride

methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride (PubChem CID 160985459) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride
PubChem CID160985459
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CC2CNC1C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)4-7-2-6-3-8(7)10-5-6;/h6-8,10H,2-5H2,1H3;1H
InChIKeyDWZKTHOSBXDWOX-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(2-azabicyclo[3.2.0]heptan-6-yl)acetate
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methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
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methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride (CID 160985459) is methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride is COC(=O)CC1CC2CNC1C2.Cl.
What is the InChIKey of methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride?
The InChIKey is DWZKTHOSBXDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-9(11)4-7-2-6-3-8(7)10-5-6;/h6-8,10H,2-5H2,1H3;1H.
What are the key properties of methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride?
methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azabicyclo[2.2.1]heptan-6-yl)acetate;hydrochloride is sourced from PubChem (CID 160985459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).