(2R)-1-aminopropan-2-ol

• ChemBase ID: 119947
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: NC[C@H](O)C
• Canonical SMILES: C[C@H](CN)O
• InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
• InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-aminopropan-2-ol
• IUPAC Traditional name: (R)-1-amino-2-propanol
• Synonyms: (R)-1-aminopropan-2-ol

Database IDs

• PubChem SID: 162108039
• PubChem CID: 439938

CALCULATED PROPERTIES

• Acid pKa: 15.304407
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8963997
• LogD (pH = 7.4): -3.0420208
• Log P: -0.89898586
• Molar Refractivity: 20.6299 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true