Cas no 929047-18-7 (1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)-)

1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)- structure
929047-18-7 structure
Product Name:1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)-
CAS No:929047-18-7
MF:C12H21ClN2O3
MW:276.759742498398
CID:1978639
PubChem ID:59215816
Update Time:2025-04-21

1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)-
    • 1,1-Dimethylethyl (2S)-2-{[(chloroacetyl)amino]methyl}-1-pyrrolidinecarboxylate
    • DB-247765
    • (S)-2-[(2-Chloro-acetylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
    • SCHEMBL337877
    • A1-69973
    • (S)-tert-Butyl 2-((2-chloroacetamido)methyl)pyrrolidine-1-carboxylate
    • 929047-20-1
    • KVSZSDVGFRPYCD-VIFPVBQESA-N
    • (S)-tert-Butyl2-((2-chloroacetamido)methyl)pyrrolidine-1-carboxylate
    • tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
    • 929047-18-7
    • MDL: MFCD21093033
    • Inchi: 1S/C12H21ClN2O3/c1-12(2,3)18-11(17)15-6-4-5-9(15)8-14-10(16)7-13/h9H,4-8H2,1-3H3,(H,14,16)/t9-/m0/s1
    • InChI Key: KVSZSDVGFRPYCD-VIFPVBQESA-N
    • SMILES: ClCC(NC[C@@H]1CCCN1C(=O)OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 276.1240702Da
  • Monoisotopic Mass: 276.1240702Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 315
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 58.6?2

1-Pyrrolidinecarboxylic acid, 2-[[(2-chloroacetyl)amino]methyl]-,1,1-dimethylethyl ester, (2S)- Pricemore >>

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