(3R)-3-hydroxypyrrolidine-1-carboximidamide

• ChemBase ID: 799249
• Molecular Formular: C5H11N3O
• Molecular Mass: 129.16034
• Monoisotopic Mass: 129.09021199
• SMILES: N1(C[C@@H](CC1)O)C(=N)N
• Canonical SMILES: O[C@@H]1CCN(C1)C(=N)N
• InChI: InChI=1S/C5H11N3O/c6-5(7)8-2-1-4(9)3-8/h4,9H,1-3H2,(H3,6,7)/t4-/m1/s1
• InChIKey: FEJSLVLMPRUVNZ-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-hydroxypyrrolidine-1-carboximidamide
• IUPAC Traditional name: (3R)-3-hydroxypyrrolidine-1-carboximidamide
• Synonyms: (R)-3-hydroxypyrrolidine-1-carboxamidine

Database IDs

• CAS Number: 1056471-60-3

CALCULATED PROPERTIES

• Acid pKa: 14.829767
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8545985
• LogD (pH = 7.4): -3.8534915
• Log P: -1.4391537
• Molar Refractivity: 44.787 cm^3
• Polarizability: 12.874291 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%