Cas no 200184-45-8 (1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)-)

1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)- structure
200184-45-8 structure
Product Name:1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)-
CAS No:200184-45-8
MF:C9H15NO3
MW:185.220302820206
CID:1394012
PubChem ID:10487764
Update Time:2025-04-20

1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)-
    • (S)-2-formyl-azetidine-1-carboxylic acid tert-butyl ester
    • (S)-2-formyl-azetidine-carboxylic acid tert-butyl ester
    • (S)-TERT-BUTYL 2-FORMYLAZETIDINE-1-CARBOXYLATE
    • 1-tert-butoxycarbonyl-2-azetidinecarboxaldehyde
    • 2-formyl-azetidine-carboxylic acid tert-butyl ester
    • tert-butyl (S)-2-formylazetidine carboxylate
    • UEGGEIJWHPDPLL-ZETCQYMHSA-N
    • tert-Butyl (S)-2-formylazetidine-1-carboxylate
    • SCHEMBL3694111
    • (S)-2-formyl-azetidine-1-carboxylic acid tert.butyl ester
    • AT21473
    • (2S)-N-BOC-AZETIDINE-2-CARBALDEHYDE
    • DB-404824
    • 200184-45-8
    • Inchi: 1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h6-7H,4-5H2,1-3H3/t7-/m0/s1
    • InChI Key: UEGGEIJWHPDPLL-ZETCQYMHSA-N
    • SMILES: O(C(N1CC[C@H]1C=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 185.10500
  • Monoisotopic Mass: 185.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 219
  • 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: 0.8
  • Topological Polar Surface Area: 46.6?2

Experimental Properties

  • PSA: 46.61000
  • LogP: 1.13260

1-Azetidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)- Production Method

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