3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride

C7H16ClNO2 — CID 86179916

IUPAC3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride
SMILESCN(C)CC(C)(C)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,6(9)10)5-8(3)4;/h5H2,1-4H3,(H,9,10);1H
InChIKeyRCNFIANLWQMDQO-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.08
Rot. Bonds3

About 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride

3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride (PubChem CID 86179916) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride
PubChem CID86179916
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride
SMILESCN(C)CC(C)(C)C(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,6(9)10)5-8(3)4;/h5H2,1-4H3,(H,9,10);1H
InChIKeyRCNFIANLWQMDQO-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride (CID 86179916) is 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride is CN(C)CC(C)(C)C(=O)O.Cl.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride?
The InChIKey is RCNFIANLWQMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(2,6(9)10)5-8(3)4;/h5H2,1-4H3,(H,9,10);1H.
What are the key properties of 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride?
3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethylpropanoic acid;hydrochloride is sourced from PubChem (CID 86179916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).