3-(dimethylamino)-2,2-dimethylbutanoic acid

C8H17NO2 — CID 115012461

IUPAC3-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCC(N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(9(4)5)8(2,3)7(10)11/h6H,1-5H3,(H,10,11)
InChIKeyROQKOTKZHBISHO-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds3

About 3-(dimethylamino)-2,2-dimethylbutanoic acid

3-(dimethylamino)-2,2-dimethylbutanoic acid (PubChem CID 115012461) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethylbutanoic acid
PubChem CID115012461
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCC(N(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(9(4)5)8(2,3)7(10)11/h6H,1-5H3,(H,10,11)
InChIKeyROQKOTKZHBISHO-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-sulfanylbutanoic acid
CID 87558354
2,2,3-trimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 58462322
4-amino-2,2,3-trimethyl-4-oxobutanoic acid
CID 91540382
3-(dimethylamino)-2-methylbutan-2-ol;ethane
CID 144576524
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2,2,4-trimethyl-3-(methylamino)pentanoic acid
CID 116953180
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);2,2,3-trimethylbutanoic acid
CID 159916720
N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
CID 173066530
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 3-(dimethylamino)-2,2-dimethylbutanoic acid (CID 115012461) is 3-(dimethylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethylbutanoic acid is CC(N(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethylbutanoic acid?
The InChIKey is ROQKOTKZHBISHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9(4)5)8(2,3)7(10)11/h6H,1-5H3,(H,10,11).
What are the key properties of 3-(dimethylamino)-2,2-dimethylbutanoic acid?
3-(dimethylamino)-2,2-dimethylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 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-dimethylbutanoic acid is sourced from PubChem (CID 115012461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).