3-(dimethylamino)-3-methylbutanoic acid

C7H15NO2 — CID 64526995

IUPAC3-(dimethylamino)-3-methylbutanoic acid
SMILESCN(C)C(C)(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,8(3)4)5-6(9)10/h5H2,1-4H3,(H,9,10)
InChIKeyPXLOIBADMRTCHS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds3

About 3-(dimethylamino)-3-methylbutanoic acid

3-(dimethylamino)-3-methylbutanoic acid (PubChem CID 64526995) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-methylbutanoic acid
PubChem CID64526995
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(dimethylamino)-3-methylbutanoic acid
SMILESCN(C)C(C)(C)CC(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,8(3)4)5-6(9)10/h5H2,1-4H3,(H,9,10)
InChIKeyPXLOIBADMRTCHS-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(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 3-(dimethylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(dimethylamino)-3-methylbutanoic acid (CID 64526995) is 3-(dimethylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-methylbutanoic acid is CN(C)C(C)(C)CC(=O)O.
What is the InChIKey of 3-(dimethylamino)-3-methylbutanoic acid?
The InChIKey is PXLOIBADMRTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,8(3)4)5-6(9)10/h5H2,1-4H3,(H,9,10).
What are the key properties of 3-(dimethylamino)-3-methylbutanoic acid?
3-(dimethylamino)-3-methylbutanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64526995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).