methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride

C8H14ClNO2 — CID 75525587

IUPACmethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2CCC1N2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-8(10)6-4-5-2-3-7(6)9-5;/h5-7,9H,2-4H2,1H3;1H
InChIKeyHCQSWZIAKKGEKA-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.72
Rot. Bonds1

About methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride

methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride (PubChem CID 75525587) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
PubChem CID75525587
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2CCC1N2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-11-8(10)6-4-5-2-3-7(6)9-5;/h5-7,9H,2-4H2,1H3;1H
InChIKeyHCQSWZIAKKGEKA-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
tert-butyl (1R,2S,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 100575330
methyl (1R,2R,3S,5R)-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 90680153
methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123144510
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
CID 22336410
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
methyl 3-(3,5-difluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22896856
2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79272229

Frequently Asked Questions

What is the IUPAC name of methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride (CID 75525587) is methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride is COC(=O)C1CC2CCC1N2.Cl.
What is the InChIKey of methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride?
The InChIKey is HCQSWZIAKKGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-11-8(10)6-4-5-2-3-7(6)9-5;/h5-7,9H,2-4H2,1H3;1H.
What are the key properties of methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride?
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride is sourced from PubChem (CID 75525587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).