8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 67400496

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
SMILESCN1C2CCC1CC(C(=O)O)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-10-7-2-3-8(10)5-6(4-7)9(11)12;/h6-8H,2-5H2,1H3,(H,11,12);1H
InChIKeyXJKHVZZGRQDQFR-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.37
Rot. Bonds1

About 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride

8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride (PubChem CID 67400496) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
PubChem CID67400496
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
SMILESCN1C2CCC1CC(C(=O)O)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-10-7-2-3-8(10)5-6(4-7)9(11)12;/h6-8H,2-5H2,1H3,(H,11,12);1H
InChIKeyXJKHVZZGRQDQFR-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride (CID 67400496) is 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride is CN1C2CCC1CC(C(=O)O)C2.Cl.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride?
The InChIKey is XJKHVZZGRQDQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-10-7-2-3-8(10)5-6(4-7)9(11)12;/h6-8H,2-5H2,1H3,(H,11,12);1H.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride?
8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67400496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).