Cas no 21394-52-5 (Methionine,N-(1-oxohexyl)-)

Methionine,N-(1-oxohexyl)- structure
Methionine,N-(1-oxohexyl)- structure
Product Name:Methionine,N-(1-oxohexyl)-
CAS No:21394-52-5
MF:C11H21NO3S
MW:247.354342222214
CID:280694
PubChem ID:89493
Update Time:2025-04-19

Methionine,N-(1-oxohexyl)- Chemical and Physical Properties

Names and Identifiers

    • Methionine,N-(1-oxohexyl)-
    • 2-(hexanoylamino)-4-methylsulfanylbutanoic acid
    • N-(1-Oxohexyl)-DL-methionine
    • N-hexanoylmethionine
    • N-(1-Hydroxyhexylidene)methionine
    • DTXSID40943942
    • EINECS 244-361-4
    • 21394-52-5
    • SCHEMBL6136379
    • AKOS009109156
    • Inchi: 1S/C11H21NO3S/c1-3-4-5-6-10(13)12-9(11(14)15)7-8-16-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
    • InChI Key: WUVVOUFAPBDGTP-UHFFFAOYSA-N
    • SMILES: S(C)CCC(C(=O)O)NC(CCCCC)=O

Computed Properties

  • Exact Mass: 247.12433
  • Monoisotopic Mass: 247.12421471g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 66.4
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