Cas no 791730-19-3 (2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-)

2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- structure
791730-19-3 structure
Product Name:2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-
CAS No:791730-19-3
MF:C10H15NO6
MW:245.229203462601
CID:555712
PubChem ID:13174315
Update Time:2025-04-19

2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]-
    • Oxiranecarboxylicacid, 3-[[(1-carboxy-3-methylbutyl)amino]carbonyl]- (9CI)
    • 3-[(1-carboxy-3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid
    • N-(3-Carboxyoxirane-2-carbonyl)leucine
    • 791730-19-3
    • DTXSID80524810
    • Inchi: 1S/C10H15NO6/c1-4(2)3-5(9(13)14)11-8(12)6-7(17-6)10(15)16/h4-7H,3H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
    • InChI Key: TZOQFUTZWYTVLZ-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)C1C(NC(C(=O)O)CC(C)C)=O

Computed Properties

  • Exact Mass: 245.08993720g/mol
  • Monoisotopic Mass: 245.08993720g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 116?2
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