Cas no 91017-22-0 (Heptanoic acid, 2-(acetylamino)-, methyl ester)

Heptanoic acid, 2-(acetylamino)-, methyl ester structure
91017-22-0 structure
Product Name:Heptanoic acid, 2-(acetylamino)-, methyl ester
CAS No:91017-22-0
MF:C10H19NO3
MW:201.262763261795
CID:788186
PubChem ID:14016731
Update Time:2025-04-19

Heptanoic acid, 2-(acetylamino)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 2-(acetylamino)-, methyl ester
    • methyl 2-acetamidoheptanoate
    • methyl 2-(acetylamino)heptanoate
    • 2-acetamido-heptanoic acid methyl ester
    • DTXSID80554354
    • HEPTANOICACID2ACETYLAMINOMETHYLESTER
    • SCHEMBL19085541
    • DTXSID90876155
    • 91017-22-0
    • Inchi: 1S/C10H19NO3/c1-4-5-6-7-9(10(13)14-3)11-8(2)12/h9H,4-7H2,1-3H3,(H,11,12)
    • InChI Key: FWWZBHSEVOSEHV-UHFFFAOYSA-N
    • SMILES: O(C)C(C(CCCCC)NC(C)=O)=O

Computed Properties

  • Exact Mass: 201.13649347g/mol
  • Monoisotopic Mass: 201.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 192
  • 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: 1.3
  • Topological Polar Surface Area: 55.4?2
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