Cas no 31338-08-6 (L-Tryptophan, butylester)

L-Tryptophan, butylester structure
L-Tryptophan, butylester structure
Product Name:L-Tryptophan, butylester
CAS No:31338-08-6
MF:C15H20N2O2
MW:260.331503868103
CID:306564
PubChem ID:11666077
Update Time:2025-04-19

L-Tryptophan, butylester Chemical and Physical Properties

Names and Identifiers

    • L-Tryptophan, butylester
    • butyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
    • LogP
    • 31338-08-6
    • tryptophan butylester
    • L-Tryptophan butyl ester
    • SCHEMBL1167928
    • Tryptophane Butylester
    • tryptophan-butylester
    • YBWXYSUDFGURNJ-ZDUSSCGKSA-N
    • L-Tryptophan, butyl ester
    • DTXSID60185266
    • Tryptophan butyl ester
    • Inchi: 1S/C15H20N2O2/c1-2-3-8-19-15(18)13(16)9-11-10-17-14-7-5-4-6-12(11)14/h4-7,10,13,17H,2-3,8-9,16H2,1H3/t13-/m0/s1
    • InChI Key: YBWXYSUDFGURNJ-ZDUSSCGKSA-N
    • SMILES: O(CCCC)C([C@H](CC1=CNC2C=CC=CC1=2)N)=O

Computed Properties

  • Exact Mass: 260.1526
  • Monoisotopic Mass: 260.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 7
  • Complexity: 296
  • 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: 2.8
  • Topological Polar Surface Area: 68.1?2

Experimental Properties

  • PSA: 68.11
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