[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride

C7H17ClN2O — CID 10654979

IUPAC[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
SMILESCNC(=O)[C@@H]([NH3+])C(C)(C)C.[Cl-]
InChIInChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H/t5-;/m1./s1
InChIKeyMKINSHAGISCSSV-NUBCRITNSA-N
MW180.68 g/mol
LogP-3.61
Rot. Bonds1

About [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride

[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride (PubChem CID 10654979) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
PubChem CID10654979
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
SMILESCNC(=O)[C@@H]([NH3+])C(C)(C)C.[Cl-]
InChIInChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H/t5-;/m1./s1
InChIKeyMKINSHAGISCSSV-NUBCRITNSA-N
XLogP-3.61
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 5-3.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
[(2S)-3-hydroxy-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl] carbamate
CID 87303128
N-methylacetamide;propan-2-ylazanium
CID 158450921
[(2S,3S)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]azanium
CID 6990631
bis(N-methylacetamide);propan-2-one
CID 158104043
4,4-dimethyl-3-(methylcarbamoyl)pentanoic acid
CID 147876224
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
2-acetyl-N,3,3,4-tetramethylpent-4-enamide
CID 11816443
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
bis(N-methylacetamide);propan-2-amine;propan-2-ylazanium
CID 169429342
(2R)-2-chloro-N-methyl-3-oxobutanamide
CID 6999875

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride?
The IUPAC name of [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride (CID 10654979) is [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride is CNC(=O)[C@@H]([NH3+])C(C)(C)C.[Cl-].
What is the InChIKey of [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride?
The InChIKey is MKINSHAGISCSSV-NUBCRITNSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-7(2,3)5(8)6(10)9-4;/h5H,8H2,1-4H3,(H,9,10);1H/t5-;/m1./s1.
What are the key properties of [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride?
[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride has a molecular weight of 180.68 g/mol, XLogP of -3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride is sourced from PubChem (CID 10654979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).