1-amino-3-methylbutane-2,3-diol

• ChemBase ID: 310134
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: C(C(O)CN)(O)(C)C
• Canonical SMILES: NCC(C(O)(C)C)O
• InChI: InChI=1S/C5H13NO2/c1-5(2,8)4(7)3-6/h4,7-8H,3,6H2,1-2H3
• InChIKey: BVWUNQADJNOXKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-methylbutane-2,3-diol
• IUPAC Traditional name: 1-amino-3-methylbutane-2,3-diol
• Synonyms: 1-amino-3-methyl-2,3-butanediol

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.1978908
• LogD (pH = 7.4): -3.0342698
• Log P: -1.2487441
• Molar Refractivity: 31.2306 cm^3
• Polarizability: 12.719586 Å^3
• Polar Surface Area: 66.48 Å^2