Cas no 21394-44-5 (Methionine,N-(1-oxododecyl)-)

Methionine,N-(1-oxododecyl)- structure
Methionine,N-(1-oxododecyl)- structure
Product Name:Methionine,N-(1-oxododecyl)-
CAS No:21394-44-5
MF:C17H33NO3S
MW:331.513824224472
CID:274112
PubChem ID:89490
Update Time:2025-04-19

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

Names and Identifiers

    • Methionine,N-(1-oxododecyl)-
    • 2-(dodecanoylamino)-4-methylsulfanylbutanoic acid
    • N-(1-Oxododecyl)-DL-methionine
    • N-dodecanoyl-L-methionine
    • N-dodecanoylmethionine
    • EINECS 244-358-8
    • N-Lauroyl Methionine
    • 21394-44-5
    • N-(1-Hydroxydodecylidene)methionine
    • DTXSID20943940
    • SCHEMBL5325569
    • Inchi: 1S/C17H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-16(19)18-15(17(20)21)13-14-22-2/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)
    • InChI Key: PFSGUIFKRGNSHV-UHFFFAOYSA-N
    • SMILES: S(C)CCC(C(=O)O)NC(CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 331.21829
  • Monoisotopic Mass: 331.21811509g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 15
  • Complexity: 298
  • 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: 5.3
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 66.4
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