4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methylpyridin-2-amine

• ChemBase ID: 860184
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: C(=O)(N1[C@@H](COC)CCC1)c1cc(ncc1)NC
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1ccnc(c1)NC
• InChI: InChI=1S/C13H19N3O2/c1-14-12-8-10(5-6-15-12)13(17)16-7-3-4-11(16)9-18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,15)/t11-/m1/s1
• InChIKey: ILOKGYHNWXNJQF-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methylpyridin-2-amine
• Synonyms: 4-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-N-methylpyridin-2-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.1
• LOG S: -2.24
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.4521479
• LogD (pH = 7.4): 0.5381668
• Log P: 0.5393905
• Molar Refractivity: 71.5349 cm^3
• Polarizability: 26.273384 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4