2-{2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-oxoethoxy}acetamide

• ChemBase ID: 707518
• Molecular Formular: C10H18N2O4
• Molecular Mass: 230.26092
• Monoisotopic Mass: 230.12665707
• SMILES: N1(C(=O)COCC(=O)N)C[C@@]([C@@H](C1)C)(O)C
• Canonical SMILES: NC(=O)COCC(=O)N1C[C@H]([C@@](C1)(C)O)C
• InChI: InChI=1S/C10H18N2O4/c1-7-3-12(6-10(7,2)15)9(14)5-16-4-8(11)13/h7,15H,3-6H2,1-2H3,(H2,11,13)/t7-,10+/m1/s1
• InChIKey: CVLZOUQRHRVWAU-XCBNKYQSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-oxoethoxy}acetamide
• IUPAC Traditional name: 2-{2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-oxoethoxy}acetamide
• Synonyms: 2-{2-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-2-oxoethoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.351229
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.068017
• LogD (pH = 7.4): -2.068017
• Log P: -2.068017
• Molar Refractivity: 56.533 cm^3
• Polarizability: 22.265097 Å^3
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.41
• LOG S: -0.99
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 4