Cas no 2445-99-0 (Glutamic acid,3-propyl-)

Glutamic acid,3-propyl- structure
Glutamic acid,3-propyl- structure
Product Name:Glutamic acid,3-propyl-
CAS No:2445-99-0
MF:C8H15NO4
MW:189.209002733231
CID:283911
PubChem ID:255939
Update Time:2025-04-19

Glutamic acid,3-propyl- Chemical and Physical Properties

Names and Identifiers

    • Glutamic acid,3-propyl-
    • (2S)-2-amino-3-propylpentanedioic acid
    • 3-propylglutamic acid
    • NSC82073
    • DTXSID20947322
    • NCIOpen2_000784
    • 2445-99-0
    • SCHEMBL14895463
    • NSC-82073
    • Inchi: 1S/C8H15NO4/c1-2-3-5(4-6(10)11)7(9)8(12)13/h5,7H,2-4,9H2,1H3,(H,10,11)(H,12,13)
    • InChI Key: SJDAMSWTMYTHNO-UHFFFAOYSA-N
    • SMILES: OC(C(C(CC(=O)O)CCC)N)=O

Computed Properties

  • Exact Mass: 189.10015
  • Monoisotopic Mass: 189.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.2
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.62
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