dimethylamino 2-methylpropanoate;hydrochloride

C6H14ClNO2 — CID 90220610

IUPACdimethylamino 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)ON(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2)6(8)9-7(3)4;/h5H,1-4H3;1H
InChIKeyCGSQCZPXMGBZHU-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.08
Rot. Bonds2

About dimethylamino 2-methylpropanoate;hydrochloride

dimethylamino 2-methylpropanoate;hydrochloride (PubChem CID 90220610) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is dimethylamino 2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namedimethylamino 2-methylpropanoate;hydrochloride
PubChem CID90220610
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namedimethylamino 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)ON(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2)6(8)9-7(3)4;/h5H,1-4H3;1H
InChIKeyCGSQCZPXMGBZHU-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[dimethylcarbamoyl(methoxy)amino] 2-methylpropanoate
CID 86213569
bis(dimethylamino) carbonate
CID 87610786
[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
CID 153181636
(1,1-dihydroxy-2-methylpropyl) 2-methylpropanoate
CID 88512914
methyl 2-methylpropanoate;titanium
CID 174633551
CID 173197860
CID 173197860
[(E)-2-(dimethylamino)ethenyl] 2-methylpropanoate
CID 163669019
[(3-tert-butylsulfanyl-4-oxobutanoyl)-methylamino] 2-methylpropanoate
CID 155401916
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
lithium;dimethylamino 2-[di(propan-2-yl)amino]acetate;hydride
CID 174567234
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
[(1S,3R,4R,6S)-2-hydroxy-3,4,5,6-tetrakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 93045526

Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-methylpropanoate;hydrochloride?
The IUPAC name of dimethylamino 2-methylpropanoate;hydrochloride (CID 90220610) is dimethylamino 2-methylpropanoate;hydrochloride.
What is the SMILES notation for dimethylamino 2-methylpropanoate;hydrochloride?
The canonical SMILES for dimethylamino 2-methylpropanoate;hydrochloride is CC(C)C(=O)ON(C)C.Cl.
What is the InChIKey of dimethylamino 2-methylpropanoate;hydrochloride?
The InChIKey is CGSQCZPXMGBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5(2)6(8)9-7(3)4;/h5H,1-4H3;1H.
What are the key properties of dimethylamino 2-methylpropanoate;hydrochloride?
dimethylamino 2-methylpropanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-methylpropanoate;hydrochloride is sourced from PubChem (CID 90220610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).