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

C8H13NO2 — CID 135395153

IUPAC3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCN(C)C12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H13NO2/c1-9(2)8-3-7(4-8,5-8)6(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyOXIGGLFKYFRXGD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.56
Rot. Bonds2

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

3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 135395153) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID135395153
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCN(C)C12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H13NO2/c1-9(2)8-3-7(4-8,5-8)6(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyOXIGGLFKYFRXGD-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
4-(Dimethylamino)-2,2,4-trimethylpentanoic acid
CID 91611216
3-(Methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 118692720
(4-Carboxy-2,4-dimethylpentan-2-yl)-trimethylazanium
CID 132064359
3-(Dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid
CID 164738823
Methyl 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylate
CID 169231951
4-(2-Azaspiro[3.3]heptan-2-yl)-4-methylpentanoic acid
CID 79694547
4-(Dimethylamino)-4-methylpentanoic acid
CID 79695166
3-(Dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride
CID 155893348
1-Methyl-3-[methyl(propyl)amino]cyclobutane-1-carboxylic acid
CID 172571268

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid (CID 135395153) is 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid is CN(C)C12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is OXIGGLFKYFRXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(2)8-3-7(4-8,5-8)6(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
3-(dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.56, 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 is sourced from PubChem (CID 135395153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).