3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid

C9H15NO2 — CID 164738823

IUPAC3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC1C2(C(=O)O)CC1(N(C)C)C2
InChIInChI=1S/C9H15NO2/c1-6-8(7(11)12)4-9(6,5-8)10(2)3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyXUVDNBSTHYSWEZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds2

About 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid

3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 164738823) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID164738823
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC1C2(C(=O)O)CC1(N(C)C)C2
InChIInChI=1S/C9H15NO2/c1-6-8(7(11)12)4-9(6,5-8)10(2)3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyXUVDNBSTHYSWEZ-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid (CID 164738823) is 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid is CC1C2(C(=O)O)CC1(N(C)C)C2.
What is the InChIKey of 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is XUVDNBSTHYSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-8(7(11)12)4-9(6,5-8)10(2)3/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid?
3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylbicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 164738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).