Cas no 53874-24-1 (2-(aminomethyl)butanedioic acid)

2-(aminomethyl)butanedioic acid structure
53874-24-1 structure
Product Name:2-(aminomethyl)butanedioic acid
CAS No:53874-24-1
MF:C5H9NO4
MW:147.129261732101
CID:2619696
PubChem ID:21266755
Update Time:2025-04-21

2-(aminomethyl)butanedioic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(aminomethyl)butanedioic acid
    • 53874-24-1
    • SCHEMBL6951848
    • EN300-149583
    • AKOS006339003
    • 2-(Aminomethyl)butanedioicacid
    • Inchi: 1S/C5H9NO4/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
    • InChI Key: QRRBOJUDIKPPLC-UHFFFAOYSA-N
    • SMILES: OC(C(CN)CC(=O)O)=O

Computed Properties

  • Exact Mass: 147.05315777Da
  • Monoisotopic Mass: 147.05315777Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 145
  • 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
  • XLogP3: -4
  • Topological Polar Surface Area: 101?2

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