(2S,4S)-4-amino-N-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 550122
• Molecular Formular: C16H32N4O
• Molecular Mass: 296.45148
• Monoisotopic Mass: 296.25761166
• SMILES: N1([C@H](C(=O)NCC)C[C@@H](C1)N)C1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CCNC(=O)[C@@H]1C[C@@H](CN1C1CC(C)(C)NC(C1)(C)C)N
• InChI: InChI=1S/C16H32N4O/c1-6-18-14(21)13-7-11(17)10-20(13)12-8-15(2,3)19-16(4,5)9-12/h11-13,19H,6-10,17H2,1-5H3,(H,18,21)/t11-,13-/m0/s1
• InChIKey: QLNKQTJCENVNDB-AAEUAGOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S)-4-amino-N-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S,4S)-4-amino-N-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
• Synonyms: (2S,4S)-4-amino-N-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.036272
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.478868
• LogD (pH = 7.4): -5.008772
• Log P: -0.15706989
• Molar Refractivity: 86.0723 cm^3
• Polarizability: 34.53149 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.92
• LOG S: -2.14
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 3