tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate

• ChemBase ID: 308886
• Molecular Formular: C10H20N2O3
• Molecular Mass: 216.2774
• Monoisotopic Mass: 216.14739251
• SMILES: C(=O)(N1C[C@H]([C@@H](CC1)N)O)OC(C)(C)C
• Canonical SMILES: N[C@@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
• InChIKey: KREUZCYJWPQPJX-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
• Synonyms: tert-butyl rac-(3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate

Database IDs

• CAS Number: 1007596-95-3
• MDL Number: MFCD18425632

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.367199
• LogD (pH = 7.4): -2.3588457
• Log P: -0.3888023
• Molar Refractivity: 56.1674 cm^3
• Polarizability: 22.50289 Å^3
• Polar Surface Area: 75.79 Å^2