Cas no 917598-38-0 (Proline, 1-butyl-5-oxo-)

Proline, 1-butyl-5-oxo- structure
Proline, 1-butyl-5-oxo- structure
Product Name:Proline, 1-butyl-5-oxo-
CAS No:917598-38-0
MF:C9H15NO3
MW:185.220302820206
CID:785789
PubChem ID:71428578
Update Time:2025-04-19

Proline, 1-butyl-5-oxo- Chemical and Physical Properties

Names and Identifiers

    • Proline, 1-butyl-5-oxo-
    • (2S)-1-butyl-5-oxopyrrolidine-2-carboxylic acid
    • DTXSID40847299
    • 917598-38-0
    • 1-Butyl-5-oxo-L-proline
    • Inchi： 1S/C9H15NO3/c1-2-3-6-10-7(9(12)13)4-5-8(10)11/h7H,2-6H2,1H3,(H,12,13)/t7-/m0/s1
    • InChI Key： UUKCIGJPFKDBGN-ZETCQYMHSA-N
    • SMILES： O=C1CC[C@@H](C(=O)O)N1CCCC

Computed Properties

  • Exact Mass: 185.10519334g/mol
  • Monoisotopic Mass: 185.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 215
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 57.6?2

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