2-(dimethylamino)-3-methylbutanoic acid

C7H15NO2 — CID 14584527

IUPAC2-(dimethylamino)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyAPGLTERDKORUHK-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.66
Rot. Bonds3

About 2-(dimethylamino)-3-methylbutanoic acid

2-(dimethylamino)-3-methylbutanoic acid (PubChem CID 14584527) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylbutanoic acid
PubChem CID14584527
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(dimethylamino)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyAPGLTERDKORUHK-UHFFFAOYSA-N
XLogP0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylalanine
CID 5488191
N-Methyl-L-valine
CID 444080
(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
N,N-Dimethyl-L-Valine
CID 11008044
N-Methylvaline
CID 4378
n,n-Dimethylisoleucine
CID 11768849
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
N-Methyl-D-valine
CID 6951143
N-Ethyl-L-valine
CID 10729971
HMBOA hexose
CID 18628337
(2R)-2-(dimethylamino)propanoic acid
CID 151045
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(dimethylamino)-3-methylbutanoic acid (CID 14584527) is 2-(dimethylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-methylbutanoic acid is CC(C)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methylbutanoic acid?
The InChIKey is APGLTERDKORUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10).
What are the key properties of 2-(dimethylamino)-3-methylbutanoic acid?
2-(dimethylamino)-3-methylbutanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 14584527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).