methyl 2-[(4-cyclopentylpyrimidin-2-yl)(methyl)amino]acetate

• ChemBase ID: 534434
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: c1(nc(C2CCCC2)ccn1)N(CC(=O)OC)C
• Canonical SMILES: COC(=O)CN(c1nccc(n1)C1CCCC1)C
• InChI: InChI=1S/C13H19N3O2/c1-16(9-12(17)18-2)13-14-8-7-11(15-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3
• InChIKey: FZCVFJOFWWPGRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(4-cyclopentylpyrimidin-2-yl)(methyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(4-cyclopentylpyrimidin-2-yl)(methyl)amino]acetate
• Synonyms: methyl N-(4-cyclopentylpyrimidin-2-yl)-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2607377
• LogD (pH = 7.4): 2.2607462
• Log P: 2.2607465
• Molar Refractivity: 69.1433 cm^3
• Polarizability: 26.220264 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.13
• LOG S: -3.69
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5