Cas no 182495-27-8 (3-Pentynoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI))

3-Pentynoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI) structure
182495-27-8 structure
Product Name:3-Pentynoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI)
CAS No:182495-27-8
MF:C10H15NO4
MW:213.230403184891
CID:113869
Update Time:2022-07-26

3-Pentynoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Pentynoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)- (9CI)
    • 3-Pentynoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)-(9CI)
    • Inchi: 1S/C10H15NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
    • InChI Key: GNBHGYIPKKCINW-SSDOTTSWSA-N
    • SMILES: C(O)(=O)[C@H](NC(OC(C)(C)C)=O)C#CC

Computed Properties

  • Exact Mass: 213.1
  • Monoisotopic Mass: 213.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • 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
  • Topological Polar Surface Area: 75.6A^2
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