3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 155893348

IUPAC3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCN(C)C12CC(C(=O)O)(C1)C2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-9(2)8-3-7(4-8,5-8)6(10)11;/h3-5H2,1-2H3,(H,10,11);1H
InChIKeyOLYCUILKUHFATK-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.98
Rot. Bonds2

About 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (PubChem CID 155893348) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
PubChem CID155893348
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCN(C)C12CC(C(=O)O)(C1)C2.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-9(2)8-3-7(4-8,5-8)6(10)11;/h3-5H2,1-2H3,(H,10,11);1H
InChIKeyOLYCUILKUHFATK-UHFFFAOYSA-N
XLogP0.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (CID 155893348) is 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is CN(C)C12CC(C(=O)O)(C1)C2.Cl.
What is the InChIKey of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The InChIKey is OLYCUILKUHFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-9(2)8-3-7(4-8,5-8)6(10)11;/h3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155893348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).