Cas no 267230-26-2 (Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)-)

Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)- structure
267230-26-2 structure
Product Name:Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)-
CAS No:267230-26-2
MF:C13H23NO4
MW:257.3260242939
CID:1428292
PubChem ID:11253896
Update Time:2025-04-20

Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)-
    • (1S,2R)-2-tert-butoxycarbonylamino-1-cyclohexanecarboxylic acid methyl ester
    • Cyclohexanecarboxylicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester,(1s,2r)-
    • Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1s,2r)-
    • F16758
    • Methyl (1S, 6R)-6-tert-butoxycarbonylaminocyclohexane carboxylate
    • AWNIRXMMYAJMNG-VHSXEESVSA-N
    • Methyl cis-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
    • Methyl (1S,6R)-6-tert-butoxycarbonylaminocyclohexanecarboxylate
    • Methyl (1S,6R)-6-tert-butoxycarbonylaminocyclohexane carboxylate
    • SCHEMBL420234
    • 267230-26-2
    • Inchi： 1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-8-6-5-7-9(10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m0/s1
    • InChI Key： AWNIRXMMYAJMNG-VHSXEESVSA-N
    • SMILES： O(C)C([C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 257.16279
  • Monoisotopic Mass: 257.16270821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • 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: 2.8
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • PSA: 64.63

Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,2R)- Related Literature

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