Cas no 749926-95-2 (4-Pentenoic acid,2-amino-2,3-dimethyl-, (2S,3R)-)

4-Pentenoic acid,2-amino-2,3-dimethyl-, (2S,3R)- structure
749926-95-2 structure
Product Name:4-Pentenoic acid,2-amino-2,3-dimethyl-, (2S,3R)-
CAS No:749926-95-2
MF:C7H13NO2
MW:143.183622121811
CID:561530
Update Time:2024-03-05

4-Pentenoic acid,2-amino-2,3-dimethyl-, (2S,3R)- Chemical and Physical Properties

Names and Identifiers

    • 4-Pentenoic acid,2-amino-2,3-dimethyl-, (2S,3R)-
    • 4-Pentenoicacid,2-amino-2,3-dimethyl-,(2S,3R)-(9CI)
    • Inchi: 1S/C7H13NO2/c1-4-5(2)7(3,8)6(9)10/h4-5H,1,8H2,2-3H3,(H,9,10)/t5-,7+/m1/s1
    • InChI Key: BCHZKCAFJRHGRL-VDTYLAMSSA-N
    • SMILES: C(O)(=O)[C@](N)(C)[C@H](C)C=C

Computed Properties

  • Exact Mass: 143.095
  • Monoisotopic Mass: 143.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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: 63.3A^2
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