(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 54609886

IUPAC(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
SMILESCN1C2CCC1[C@H](C(=O)O)CC2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h6-8H,2-5H2,1H3,(H,11,12);1H/t6?,7-,8?;/m1./s1
InChIKeyMIXZSMKTNHEDRM-PSQCCDSISA-N
MW205.68 g/mol
LogP1.37
Rot. Bonds1

About (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride

(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride (PubChem CID 54609886) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
PubChem CID54609886
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
SMILESCN1C2CCC1[C@H](C(=O)O)CC2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h6-8H,2-5H2,1H3,(H,11,12);1H/t6?,7-,8?;/m1./s1
InChIKeyMIXZSMKTNHEDRM-PSQCCDSISA-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 (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride (CID 54609886) is (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride is CN1C2CCC1[C@H](C(=O)O)CC2.Cl.
What is the InChIKey of (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The InChIKey is MIXZSMKTNHEDRM-PSQCCDSISA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-10-6-2-4-7(9(11)12)8(10)5-3-6;/h6-8H,2-5H2,1H3,(H,11,12);1H/t6?,7-,8?;/m1./s1.
What are the key properties of (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
(2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-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 (2R)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54609886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).