Cas no 105334-60-9 (Glycine,N-[N-(4-amino-1-carboxybutyl)glycyl]-, (S)- (9CI))

Glycine,N-[N-(4-amino-1-carboxybutyl)glycyl]-, (S)- (9CI) structure
105334-60-9 structure
Product Name:Glycine,N-[N-(4-amino-1-carboxybutyl)glycyl]-, (S)- (9CI)
CAS No:105334-60-9
MF:C10H19N3O5
MW:261.274962663651
CID:195808
PubChem ID:147082
Update Time:2025-04-19

Glycine,N-[N-(4-amino-1-carboxybutyl)glycyl]-, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-[N-(4-amino-1-carboxybutyl)glycyl]-, (S)- (9CI)
    • 6-amino-2-[[2-(carboxymethylamino)-2-oxoethyl]amino]hexanoic acid
    • N-(1-carboxy-5-aminopentyl)glycylglycine
    • CA-Gly-gly
    • N-(5-amino-1-carboxypentyl)glycylglycine
    • N~2~-{2-[(Carboxymethyl)imino]-2-hydroxyethyl}lysine
    • 105334-60-9
    • DTXSID80909446
    • Inchi: 1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)12-5-8(14)13-6-9(15)16/h7,12H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)
    • InChI Key: SNGNAQQWLNRXQD-UHFFFAOYSA-N
    • SMILES: OC(C(CCCCN)NCC(NCC(=O)O)=O)=O

Computed Properties

  • Exact Mass: 261.13257
  • Monoisotopic Mass: 261.132471
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 10
  • Complexity: 295
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: -6.1
  • Topological Polar Surface Area: 142

Experimental Properties

  • Density: 1.295
  • Boiling Point: 585.5°Cat760mmHg
  • Flash Point: 307.9°C
  • Refractive Index: 1.529
  • PSA: 141.75
  • LogP: 0.29050
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