Cas no 74838-81-6 (2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI))

2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI) structure
74838-81-6 structure
Product Name:2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI)
CAS No:74838-81-6
MF:C7H13N3O2
MW:171.197021245956
CID:557202
PubChem ID:45099529
Update Time:2025-04-19

2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Piperazinedione,3-(3-aminopropyl)-, (S)- (9CI)
    • Cyclo(Gly-Orn)
    • (3S)-3-(3-AMINOPROPYL)PIPERAZINE-2,5-DIONE
    • 2,5-Piperazinedione,3-(3-aminopropyl)-,(S)-(9ci)
    • 74838-81-6
    • DTXSID50667940
    • Inchi: 1S/C7H13N3O2/c8-3-1-2-5-7(12)9-4-6(11)10-5/h5H,1-4,8H2,(H,9,12)(H,10,11)/t5-/m0/s1
    • InChI Key: IYSOOSHWCGUPCP-YFKPBYRVSA-N
    • SMILES: O=C1[C@H](CCCN)NC(CN1)=O

Computed Properties

  • Exact Mass: 171.10089
  • Monoisotopic Mass: 171.101
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 84.2A^2
  • XLogP3: -1.5

Experimental Properties

  • PSA: 84.22
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