(2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide

• ChemBase ID: 75183
• Molecular Formular: C8H16N2O4
• Molecular Mass: 204.22364
• Monoisotopic Mass: 204.111007
• SMILES: N(C(=O)[C@@H](O)[C@@H](O)C(=O)N(C)C)(C)C
• Canonical SMILES: O[C@H]([C@@H](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/t5-,6+
• InChIKey: PCYDYHRBODKVEL-OLQVQODUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• IUPAC Traditional name: (2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• Synonyms: N,N,N',N'-Tetramethyl-D-tartramide; (2R,3R)-2,3-Dihydroxy-N,N,N',N'-tetramethylsuccinamide; N,N,N',N'-Tetramethyl-L-tartramide

Database IDs

• CAS Number: 63126-52-3; 26549-65-5
• MDL Number: MFCD00077879; MFCD00025672
• PubChem SID: 162040101
• PubChem CID: 6999256

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