(2R)-2-amino-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]pentanamide

• ChemBase ID: 744140
• Molecular Formular: C13H22N2O2
• Molecular Mass: 238.32598
• Monoisotopic Mass: 238.16812795
• SMILES: C(=O)(N(Cc1oc(cc1)C)C)[C@@H](CC(C)C)N
• Canonical SMILES: CC(C[C@H](C(=O)N(Cc1ccc(o1)C)C)N)C
• InChI: InChI=1S/C13H22N2O2/c1-9(2)7-12(14)13(16)15(4)8-11-6-5-10(3)17-11/h5-6,9,12H,7-8,14H2,1-4H3/t12-/m1/s1
• InChIKey: NWURQMDKIPXEOV-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
• IUPAC Traditional name: (2R)-2-amino-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
• Synonyms: N~1~-methyl-N~1~-[(5-methyl-2-furyl)methyl]-D-leucinamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.71
• LOG S: -2.4
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 67.9397 cm^3
• Polarizability: 26.421776 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.375193
• LogD (pH = 7.4): 0.24000144
• Log P: 1.3000895