Cas no 499101-12-1 (Pentanoic acid, 5-azido-2-methyl-, (2S)-)

Pentanoic acid, 5-azido-2-methyl-, (2S)- structure
499101-12-1 structure
Product Name:Pentanoic acid, 5-azido-2-methyl-, (2S)-
CAS No:499101-12-1
MF:C6H11N3O2
MW:157.170440912247
CID:1552188
PubChem ID:71362422
Update Time:2025-04-21

Pentanoic acid, 5-azido-2-methyl-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 5-azido-2-methyl-, (2S)-
    • (2S)-5-azido-2-methylpentanoic acid
    • 499101-12-1
    • SCHEMBL16574791
    • DTXSID90786048
    • Inchi: 1S/C6H11N3O2/c1-5(6(10)11)3-2-4-8-9-7/h5H,2-4H2,1H3,(H,10,11)/t5-/m0/s1
    • InChI Key: LCBQKSUSPAOOTE-YFKPBYRVSA-N
    • SMILES: OC([C@@H](C)CCCN=[N+]=[N-])=O

Computed Properties

  • Exact Mass: 157.08523
  • Monoisotopic Mass: 157.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 175
  • 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: 1.9
  • Topological Polar Surface Area: 51.7?2

Experimental Properties

  • PSA: 86.06
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