(3S,4S)-4-methoxypyrrolidin-3-ol

• ChemBase ID: 308689
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: N1C[C@@H]([C@H](C1)OC)O
• Canonical SMILES: CO[C@H]1CNC[C@@H]1O
• InChI: InChI=1S/C5H11NO2/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3/t4-,5-/m0/s1
• InChIKey: NLVZYRDCKUFONR-WHFBIAKZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-methoxypyrrolidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-methoxypyrrolidin-3-ol
• Synonyms: trans-4-methoxy-3-pyrrolidinol

Database IDs

• CAS Number: 473298-19-0
• MDL Number: MFCD11505319

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1848154
• LogD (pH = 7.4): -3.2964914
• Log P: -0.98194677
• Molar Refractivity: 29.4006 cm^3
• Polarizability: 12.073888 Å^3
• Polar Surface Area: 41.49 Å^2