Cas no 86938-08-1 (L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-ethyl ester)

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-ethyl ester structure
86938-08-1 structure
Product Name:L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-ethyl ester
CAS No:86938-08-1
MF:C11H18NO6
MW:260.26372385025
CID:660130
PubChem ID:71413625
Update Time:2025-04-19

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-ethyl ester Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-ethyl ester
    • (3S)-4-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
    • (3S)-3-[(tert-Butoxycarbonyl)amino]-4-ethoxy-4-oxobutanoate
    • BBIUPIWGRMICDJ-ZETCQYMHSA-M
    • t-butoxycarbonyl-(S)-aspartic acid, alpha-ethyl ester
    • 86938-08-1
    • t-butoxycarbonyl(S)-aspartic acid, alpha-ethyl ester
    • DTXSID00833138
    • Inchi: 1S/C11H19NO6/c1-5-17-9(15)7(6-8(13)14)12-10(16)18-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/p-1/t7-/m0/s1
    • InChI Key: BBIUPIWGRMICDJ-ZETCQYMHSA-M
    • SMILES: O(C(N[C@H](C(=O)OCC)CC(=O)[O-])=O)C(C)(C)C

Computed Properties

  • Exact Mass: 260.11341229g/mol
  • Monoisotopic Mass: 260.11341229g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 105?2

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