Cas no 661459-11-6 (1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid)

1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid structure
661459-11-6 structure
Product Name:1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
CAS No:661459-11-6
MF:C12H21NO4
MW:243.29944396019
CID:1704730
PubChem ID:69619394
Update Time:2025-04-21

1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,2-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
    • 1-(tert-butoxycarbonyl)-5-methylpiperidine-2-carboxylic acid
    • 1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
    • Z3267437463
    • CPD77865
    • AB86982
    • 5-methyl-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester
    • rac-(2R,5S)-1-[(tert-Butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
    • DXLXYTLOWYXOHQ-UHFFFAOYSA-N
    • 661459-11-6
    • rac-(2R,5R)-1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid, cis
    • 1-(tert-butoxycarbonyl)-5-methylpiperidine-2-carboxylicacid
    • DB-336882
    • SCHEMBL5955866
    • 5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
    • EN300-1272735
    • CHEMBL4908530
    • Inchi： 1S/C12H21NO4/c1-8-5-6-9(10(14)15)13(7-8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
    • InChI Key： DXLXYTLOWYXOHQ-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CC(C)CCC1C(=O)O)=O

Computed Properties

  • Exact Mass: 242.1393
  • Monoisotopic Mass: 243.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 69.67

1-[(tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid Pricemore >>

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