2-(2-carboxyethyl)-1,1,1-trimethylhydrazinium

• ChemBase ID: 312952
• Molecular Formular: C6H15N2O2+
• Molecular Mass: 147.1955
• Monoisotopic Mass: 147.11335273
• SMILES: OC(=O)CCN[N+](C)(C)C
• Canonical SMILES: OC(=O)CCN[N+](C)(C)C
• InChI: InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1
• InChIKey: PVBQYTCFVWZSJK-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-carboxyethyl)-1,1,1-trimethylhydrazinium
• IUPAC Traditional name: 2-(2-carboxyethyl)-1,1,1-trimethylhydrazinium
• Synonyms: Mildronate

Database IDs

• CAS Number: 76144-81-5

CALCULATED PROPERTIES

• Acid pKa: 3.4705176
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1540208
• LogD (pH = 7.4): -0.76327944
• Log P: -2.626767
• Molar Refractivity: 50.9857 cm^3
• Polarizability: 15.216934 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Hydroxylase

Product Information

• Salt Data: Free Base