Cas no 1719-01-3 (4-(butylamino)-4-oxobutanoic Acid)

4-(butylamino)-4-oxobutanoic Acid structure
1719-01-3 structure
Product Name:4-(butylamino)-4-oxobutanoic Acid
CAS No:1719-01-3
MF:C8H15NO3
MW:173.209602594376
CID:1354673
PubChem ID:244664
Update Time:2025-04-20

4-(butylamino)-4-oxobutanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(butylamino)-4-oxobutanoic Acid
    • STK032691
    • AC1Q5P8E
    • 4-Oxo-4-(butylamino)butanoic acid
    • butanoic acid, 4-(butylamino)-4-oxo-
    • CTK4D4079
    • AC1L6E6V
    • AR-1I1079
    • 3-butylcarbamoylpropionic acid
    • NSC55754
    • 4-butylamino-4-oxobutanoic acid
    • Bernsteinsaeure-butylamid
    • STK032691; AC1Q5P8E; 4-Oxo-4-(butylamino)butanoic acid; butanoic acid, 4-(butylamino)-4-oxo-; CTK4D4079; AC1L6E6V; AR-1I1079; 3-butylcarbamoylpropionic acid; NSC55754; 4-butylamino-4-oxobutanoic acid; Bernsteinsaeure-butylamid;
    • 1719-01-3
    • NSC-55754
    • AKOS002675075
    • BBL036035
    • MEQPSULBUGETDJ-UHFFFAOYSA-N
    • SCHEMBL6548539
    • CS-0336869
    • 4-(butylamino)-4-oxo-butanoic acid
    • 3-(BUTYLCARBAMOYL)PROPANOIC ACID
    • DTXSID40288401
    • VS-13311
    • Inchi： 1S/C8H15NO3/c1-2-3-6-9-7(10)4-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
    • InChI Key： MEQPSULBUGETDJ-UHFFFAOYSA-N
    • SMILES： O=C(CCC(=O)O)NCCCC

Computed Properties

  • Exact Mass: 173.10525
  • Monoisotopic Mass: 173.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 156
  • 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
  • XLogP3: 0.2
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.4

4-(butylamino)-4-oxobutanoic Acid Related Literature

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