Cas no 10054-20-3 (1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid)

1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid structure
10054-20-3 structure
Product Name:1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
CAS No:10054-20-3
MF:C23H43NO3
MW:381.592427492142
CID:206394
PubChem ID:111995
Update Time:2025-04-19

1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
    • 3-Pyrrolidinecarboxylicacid, 1-octadecyl-5-oxo-
    • 1-Octadecyl-5-oxo-pyrrolidin-3-carbonsaeure
    • 1-octadecyl-5-oxo-pyrrolidine-3-carboxylic acid
    • 1-octadecylpyrrolidin-2-one-4-carboxylic acid
    • EINECS 233-181-1
    • A897405
    • 10054-20-3
    • NS00047230
    • SCHEMBL1283867
    • 1-Octadecyl-5-oxopyrrolidine-3-carboxylicacid
    • DTXSID90905575
    • YNVVGWVZIYAFNV-UHFFFAOYSA-N
    • DB-312269
    • MDL： MFCD27923012
    • Inchi： 1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23(26)27)19-22(24)25/h21H,2-20H2,1H3,(H,26,27)
    • InChI Key： YNVVGWVZIYAFNV-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(=O)O)CN1CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 381.32400
  • Monoisotopic Mass: 381.32429423g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 18
  • Complexity: 397
  • 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: 7.8
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.61000
  • LogP: 6.11890

1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid Pricemore >>

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