Cas no 1212407-62-9 (rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid)

rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid structure
1212407-62-9 structure
Product Name:rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid
CAS No:1212407-62-9
MF:C13H23NO4
MW:257.3260242939
MDL:MFCD09475428
CID:1083200
PubChem ID:1514239
Update Time:2025-04-20

rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1R,2S)-2-((tert-Butoxycarbonyl)amino)cycloheptanecarboxylic acid
    • (1R,2S)-Boc-2-aminocyclo-heptanecarboxylic acid
    • (1R,2S)-2-[(tert-butoxycarbonyl)amino]cycloheptane-1-carboxylic acid
    • 1S,2R)-2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEPTANECARBOXYLIC ACID
    • AB50598
    • AK-55253
    • cis-2-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid
    • CTK8F1599
    • MolPort-006-170-518
    • rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid
    • (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
    • MFCD09475428
    • TS-7130
    • AKOS022180152
    • 1212407-62-9
    • CHEMBL5010290
    • (1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cycloheptane-1-carboxylic acid
    • 1335031-78-1
    • SCHEMBL19217725
    • MDL: MFCD09475428
    • Inchi: 1S/C13H23NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9(10)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-,10+/m1/s1
    • InChI Key: JSQOFHUYZLCVGB-ZJUUUORDSA-N
    • SMILES: O(C(C)(C)C)C(N[C@H]1CCCCC[C@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 257.16270821g/mol
  • Monoisotopic Mass: 257.16270821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • PSA: 75.63000
  • LogP: 2.93550

rac-(1R,2S)-2-{(tert-butoxy)carbonylamino}cycloheptane-1-carboxylic acid Pricemore >>

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