2-(dimethylamino)-2-methylpropanoic acid;hydrochloride

C6H14ClNO2 — CID 13370336

IUPAC2-(dimethylamino)-2-methylpropanoic acid;hydrochloride
SMILESCN(C)C(C)(C)C(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,5(8)9)7(3)4;/h1-4H3,(H,8,9);1H
InChIKeyZSEOXYGSFYWPNA-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.83
Rot. Bonds2

About 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride

2-(dimethylamino)-2-methylpropanoic acid;hydrochloride (PubChem CID 13370336) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylpropanoic acid;hydrochloride
PubChem CID13370336
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-(dimethylamino)-2-methylpropanoic acid;hydrochloride
SMILESCN(C)C(C)(C)C(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,5(8)9)7(3)4;/h1-4H3,(H,8,9);1H
InChIKeyZSEOXYGSFYWPNA-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride (CID 13370336) is 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride is CN(C)C(C)(C)C(=O)O.Cl.
What is the InChIKey of 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride?
The InChIKey is ZSEOXYGSFYWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2,5(8)9)7(3)4;/h1-4H3,(H,8,9);1H.
What are the key properties of 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride?
2-(dimethylamino)-2-methylpropanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 13370336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).