2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide

• ChemBase ID: 178481
• Molecular Formular: C8H16N2O4
• Molecular Mass: 204.22364
• Monoisotopic Mass: 204.111007
• SMILES: CN(C(=O)C(C(C(=O)N(C)C)O)O)C
• Canonical SMILES: OC(C(C(=O)N(C)C)O)C(=O)N(C)C
• InChI: InChI=1S/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3
• InChIKey: PCYDYHRBODKVEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• IUPAC Traditional name: 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• Synonyms: Weinsaeure-bis-dimethylamid; 2,3-Dihydroxy-N,N,N’,N’-tetramethyl-succinamide; N,N,N',N'-Tetramethyltartramide

Database IDs

• CAS Number: 26549-65-5
• PubChem SID: 164234391
• PubChem CID: 551829

CALCULATED PROPERTIES

• Acid pKa: 11.674234
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5479813
• LogD (pH = 7.4): -2.548004
• Log P: -2.5479808
• Molar Refractivity: 49.4446 cm^3
• Polarizability: 19.263136 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid