2-methyl-4-(methylamino)butanoic acid

C6H13NO2 — CID 55286236

IUPAC2-methyl-4-(methylamino)butanoic acid
SMILESCNCCC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-5(6(8)9)3-4-7-2/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyWOHRGBATUNFINP-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.32
Rot. Bonds4

About 2-methyl-4-(methylamino)butanoic acid

2-methyl-4-(methylamino)butanoic acid (PubChem CID 55286236) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(methylamino)butanoic acid
PubChem CID55286236
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-methyl-4-(methylamino)butanoic acid
SMILESCNCCC(C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-5(6(8)9)3-4-7-2/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyWOHRGBATUNFINP-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(methylamino)butanoic 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 2-methyl-4-(methylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(methylamino)butanoic acid (CID 55286236) is 2-methyl-4-(methylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(methylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(methylamino)butanoic acid is CNCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-4-(methylamino)butanoic acid?
The InChIKey is WOHRGBATUNFINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(6(8)9)3-4-7-2/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-methyl-4-(methylamino)butanoic acid?
2-methyl-4-(methylamino)butanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)butanoic acid is sourced from PubChem (CID 55286236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).