Cas no 90104-03-3 (D-Leucine, 2-methyl-,methyl ester)

D-Leucine, 2-methyl-,methyl ester structure
90104-03-3 structure
Product Name:D-Leucine, 2-methyl-,methyl ester
CAS No:90104-03-3
MF:C8H17NO2
MW:159.2260825634
CID:798010
PubChem ID:13687232
Update Time:2025-04-19

D-Leucine, 2-methyl-,methyl ester Chemical and Physical Properties

Names and Identifiers

    • D-Leucine, 2-methyl-,methyl ester
    • D-ALPHA-METHYLLEUCINE METHYL ESTER
    • Methyl (R)-2-amino-2,4-dimethylpentanoate
    • 90104-03-3
    • SCHEMBL10829557
    • Inchi: 1S/C8H17NO2/c1-6(2)5-8(3,9)7(10)11-4/h6H,5,9H2,1-4H3/t8-/m1/s1
    • InChI Key: KGYSWVMSQARZEB-MRVPVSSYSA-N
    • SMILES: O(C)C([C@@](C)(CC(C)C)N)=O

Computed Properties

  • Exact Mass: 159.125928785g/mol
  • Monoisotopic Mass: 159.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 145
  • 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: 1.1
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32000
  • LogP: 1.62320
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