Cas no 234442-29-6 (L-Proline,4-(acetyloxy)-, (4S)-)

L-Proline,4-(acetyloxy)-, (4S)- structure
234442-29-6 structure
Product Name:L-Proline,4-(acetyloxy)-, (4S)-
CAS No:234442-29-6
MF:C7H11NO4
MW:173.166542291641
CID:245397
PubChem ID:45091155
Update Time:2025-04-19

L-Proline,4-(acetyloxy)-, (4S)- Chemical and Physical Properties

Names and Identifiers

    • L-Proline,4-(acetyloxy)-, (4S)-
    • cis-4-Acetoxy-L-proline
    • L-Proline,4-(acetyloxy)-,(4S)-(9CI)
    • (2S,4S)-4-Acetoxypyrrolidine-2-carboxylic acid
    • 234442-29-6
    • SCHEMBL683739
    • Inchi: 1S/C7H11NO4/c1-4(9)12-5-2-6(7(10)11)8-3-5/h5-6,8H,2-3H2,1H3,(H,10,11)/t5-,6-/m0/s1
    • InChI Key: OQWHXHYZFMIILA-WDSKDSINSA-N
    • SMILES: O(C(C)=O)[C@@H]1CN[C@H](C(=O)O)C1

Computed Properties

  • Exact Mass: 173.06883
  • Monoisotopic Mass: 173.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 204
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.8
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • PSA: 75.63
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