Cas no 107696-60-6 (Propanedioic acid,2-amino-2-methyl-, 1-methyl ester)

Propanedioic acid,2-amino-2-methyl-, 1-methyl ester structure
107696-60-6 structure
Product Name:Propanedioic acid,2-amino-2-methyl-, 1-methyl ester
CAS No:107696-60-6
MF:C5H9NO4
MW:147.129261732101
CID:127653
PubChem ID:53997509
Update Time:2025-04-18

Propanedioic acid,2-amino-2-methyl-, 1-methyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-amino-2-methyl-, 1-methyl ester
    • Propanedioicacid, aminomethyl-, monomethyl ester (9CI)
    • Propanedioic acid, aminomethyl-, monomethyl ester (9CI)
    • CHEBI:149654
    • AKOS006361650
    • SCHEMBL10772762
    • 2-amino-3-methoxy-2-methyl-3-oxopropanoic acid
    • methyl 2-methyl-3-oxoserinate
    • 107696-60-6
    • 1,2-dimethyl-aminomalonic acid
    • Inchi: 1S/C5H9NO4/c1-5(6,3(7)8)4(9)10-2/h6H2,1-2H3,(H,7,8)
    • InChI Key: KJEBLXJLLPGXTE-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C(=O)O)(C)N)=O

Computed Properties

  • Exact Mass: 147.05317
  • Monoisotopic Mass: 147.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 167
  • 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: -3.1
  • Topological Polar Surface Area: 89.6?2

Experimental Properties

  • PSA: 89.62
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