Cas no 595547-18-5 ((3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate)

(3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate structure
595547-18-5 structure
Product Name:(3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate
CAS No:595547-18-5
MF:C15H25NO6
MW:315.366g/mol
MDL:MFCD11845851
CID:1619062
Update Time:2023-03-24

(3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3,4-diethylester, (3R,4R)-rel-
    • (3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate
    • rac trans-N-Boc-pyrrolidine-3,4-dicarboxylic acid diethyl ester
    • trans-Pyrrolidine-1,3,4-tricarboxylic acid 1-tert-butyl ester 3,4-diethyl ester
    • trans-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate
    • MDL: MFCD11845851
    • Inchi: InChI=1S/C15H25NO6/c1-6-20-12(17)10-8-16(14(19)22-15(3,4)5)9-11(10)13(18)21-7-2/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
    • InChI Key: QVFYELHUZMOHPV-GHMZBOCLSA-N
    • SMILES: CCOC(=O)[C@@H]1CN(C[C@H]1C(=O)OCC)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 315.168
  • Monoisotopic Mass: 315.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 9
  • Complexity: 402
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 82.1A^2

(3R,4R)-1-tert-butyl 3,4-diethyl pyrrolidine-1,3,4-tricarboxylate Pricemore >>

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