(2S,4R)-4-amino-N,N-diethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide

• ChemBase ID: 334119
• Molecular Formular: C14H27N3O2
• Molecular Mass: 269.38308
• Monoisotopic Mass: 269.21032712
• SMILES: N1([C@H](C(=O)N(CC)CC)C[C@H](C1)N)C1CCOCC1
• Canonical SMILES: CCN(C(=O)[C@@H]1C[C@H](CN1C1CCOCC1)N)CC
• InChI: InChI=1S/C14H27N3O2/c1-3-16(4-2)14(18)13-9-11(15)10-17(13)12-5-7-19-8-6-12/h11-13H,3-10,15H2,1-2H3/t11-,13+/m1/s1
• InChIKey: KTEUIZAMKWTHRI-YPMHNXCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4R)-4-amino-N,N-diethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S,4R)-4-amino-N,N-diethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
• Synonyms: (2S,4R)-4-amino-N,N-diethyl-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.6068
• LogD (pH = 7.4): -2.7012591
• Log P: -0.65346134
• Molar Refractivity: 75.9227 cm^3
• Polarizability: 30.013216 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.18
• LOG S: -2.32
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 4