Cas no 61275-29-4 (D-Alaninamide, L-alanyl-N-methyl-)

D-Alaninamide, L-alanyl-N-methyl- structure
61275-29-4 structure
Product Name:D-Alaninamide, L-alanyl-N-methyl-
CAS No:61275-29-4
MF:C7H15N3O2
MW:173.212901353836
CID:486170
PubChem ID:71397523
Update Time:2025-04-19

D-Alaninamide, L-alanyl-N-methyl- Chemical and Physical Properties

Names and Identifiers

    • D-Alaninamide, L-alanyl-N-methyl-
    • L-Alanyl-N-methyl-D-alaninamide
    • 61275-29-4
    • DTXSID40819017
    • SCHEMBL23056586
    • Inchi: 1S/C7H15N3O2/c1-4(8)6(11)10-5(2)7(12)9-3/h4-5H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-,5+/m0/s1
    • InChI Key: YGIVVAKQDXCPKN-CRCLSJGQSA-N
    • SMILES: O=C([C@H](C)N)N[C@@H](C(NC)=O)C

Computed Properties

  • Exact Mass: 173.11655
  • Monoisotopic Mass: 173.116426730g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: -1.7
  • Topological Polar Surface Area: 84.2?2

Experimental Properties

  • PSA: 84.22
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