2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride

C8H18ClNO2 — CID 122156665

IUPAC2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)CC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6-9(4)5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H
InChIKeyCHSBFHUUAZRITC-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.47
Rot. Bonds3

About 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride

2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride (PubChem CID 122156665) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride
PubChem CID122156665
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)CC(C)(C)C.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,3)6-9(4)5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H
InChIKeyCHSBFHUUAZRITC-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride (CID 122156665) is 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride is CN(CC(=O)O)CC(C)(C)C.Cl.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride?
The InChIKey is CHSBFHUUAZRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,3)6-9(4)5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H.
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride?
2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 122156665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).