3-methyl-3-(methylamino)butanoic acid;hydrochloride

C6H14ClNO2 — CID 146155664

IUPAC3-methyl-3-(methylamino)butanoic acid;hydrochloride
SMILESCNC(C)(C)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,7-3)4-5(8)9;/h7H,4H2,1-3H3,(H,8,9);1H
InChIKeyFJEYGORRKRTUTQ-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.88
Rot. Bonds3

About 3-methyl-3-(methylamino)butanoic acid;hydrochloride

3-methyl-3-(methylamino)butanoic acid;hydrochloride (PubChem CID 146155664) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-(methylamino)butanoic acid;hydrochloride
PubChem CID146155664
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name3-methyl-3-(methylamino)butanoic acid;hydrochloride
SMILESCNC(C)(C)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-6(2,7-3)4-5(8)9;/h7H,4H2,1-3H3,(H,8,9);1H
InChIKeyFJEYGORRKRTUTQ-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(methylamino)butanoic acid;hydrochloride 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-methyl-3-(methylamino)butanoic acid;hydrochloride?
The IUPAC name of 3-methyl-3-(methylamino)butanoic acid;hydrochloride (CID 146155664) is 3-methyl-3-(methylamino)butanoic acid;hydrochloride.
What is the SMILES notation for 3-methyl-3-(methylamino)butanoic acid;hydrochloride?
The canonical SMILES for 3-methyl-3-(methylamino)butanoic acid;hydrochloride is CNC(C)(C)CC(=O)O.Cl.
What is the InChIKey of 3-methyl-3-(methylamino)butanoic acid;hydrochloride?
The InChIKey is FJEYGORRKRTUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-6(2,7-3)4-5(8)9;/h7H,4H2,1-3H3,(H,8,9);1H.
What are the key properties of 3-methyl-3-(methylamino)butanoic acid;hydrochloride?
3-methyl-3-(methylamino)butanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 146155664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).