(2S)-2-(dimethylamino)-3-methylbutanoic acid

C7H15NO2 — CID 11008044

IUPAC(2S)-2-(dimethylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](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)/t6-/m0/s1
InChIKeyAPGLTERDKORUHK-LURJTMIESA-N
MW145.20 g/mol
LogP0.66
Rot. Bonds3

About (2S)-2-(dimethylamino)-3-methylbutanoic acid

(2S)-2-(dimethylamino)-3-methylbutanoic acid (PubChem CID 11008044) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-methylbutanoic acid
PubChem CID11008044
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-(dimethylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](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)/t6-/m0/s1
InChIKeyAPGLTERDKORUHK-LURJTMIESA-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

Analyze (2S)-2-(dimethylamino)-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-3-methylbutanoic acid (CID 11008044) is (2S)-2-(dimethylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-3-methylbutanoic acid is CC(C)[C@@H](C(=O)O)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-3-methylbutanoic acid?
The InChIKey is APGLTERDKORUHK-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-methylbutanoic acid?
(2S)-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 (2S)-2-(dimethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 11008044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).