Cas no 100009-01-6 (Glycine,N-(9H-pyrido[3,4-b]indol-3-ylcarbonyl)-, methyl ester)

Glycine,N-(9H-pyrido[3,4-b]indol-3-ylcarbonyl)-, methyl ester structure
100009-01-6 structure
Product Name:Glycine,N-(9H-pyrido[3,4-b]indol-3-ylcarbonyl)-, methyl ester
CAS No:100009-01-6
MF:C15H13N3O3
MW:283.282023191452
CID:179915
PubChem ID:127464
Update Time:2025-04-19

Glycine,N-(9H-pyrido[3,4-b]indol-3-ylcarbonyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-(9H-pyrido[3,4-b]indol-3-ylcarbonyl)-, methyl ester
    • glycinamide-beta-carboline-3-carboxylate methyl ester
    • methyl 2-(9H-pyrido[3,4-b]indole-3-carbonylamino)acetate
    • Gly-b-ccme
    • Glycine, N-(9H-pyrido(3,4-b)indo-3-ylcarbonyl)-, methyl ester
    • methyl N-(9H-beta-carbolin-3-ylcarbonyl)glycinate
    • 100009-01-6
    • DTXSID00142858
    • Inchi: 1S/C15H13N3O3/c1-21-14(19)8-17-15(20)12-6-10-9-4-2-3-5-11(9)18-13(10)7-16-12/h2-7,18H,8H2,1H3,(H,17,20)
    • InChI Key: KRSQNSNAAQYQQW-UHFFFAOYSA-N
    • SMILES: O=C(C1=CC2=C(C=N1)NC1C=CC=CC2=1)NCC(=O)OC

Computed Properties

  • Exact Mass: 282.08796
  • Monoisotopic Mass: 283.095691
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 415
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.1
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.374
  • Boiling Point: 620.4°Cat760mmHg
  • Flash Point: 329°C
  • Refractive Index: 1.694
  • PSA: 84.08
  • LogP: 2.00980

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