(3R)-3-amino-2-methylbutan-2-ol

• ChemBase ID: 90767
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N[C@@H](C(O)(C)C)C
• Canonical SMILES: C[C@H](C(O)(C)C)N
• InChI: InChI=1S/C5H13NO/c1-4(6)5(2,3)7/h4,7H,6H2,1-3H3/t4-/m1/s1
• InChIKey: OVKDLPZRDQTOJW-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-amino-2-methylbutan-2-ol
• IUPAC Traditional name: (3R)-3-amino-2-methylbutan-2-ol
• Synonyms: (1S)-1,2-Dimethyl-2-hydroxypropylamine; (2S)-2-Amino-3-hydroxy-3-methylbutane; (3S)-3-Amino-2-methylbutan-2-ol

Database IDs

• CAS Number: 74608-26-7
• PubChem SID: 162077498
• PubChem CID: 10725304

CALCULATED PROPERTIES

• Acid pKa: 14.737755
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2166698
• LogD (pH = 7.4): -2.5910633
• Log P: -0.20183416
• Molar Refractivity: 29.6869 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant