Cas no 267230-27-3 (Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester)

Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester structure
267230-27-3 structure
Product Name:Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester
CAS No:267230-27-3
MF:C13H23NO4
MW:257.3260242939
CID:1428293
PubChem ID:10777538
Update Time:2025-04-20

Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1R,2R)-
    • (1R,2R)-methyl 2-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate
    • trans-Cyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
    • P14604
    • Methyl trans-2-(Boc-amino)cyclohexane-1-carboxyate
    • trans-Methyl 2-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate
    • A877160
    • AWNIRXMMYAJMNG-NXEZZACHSA-N
    • 1839591-69-3
    • AS-52224
    • rel-(1R,2R)-Methyl 2-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate
    • methyl (1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
    • Methyl (IR,6R)-6tert-butoxycarbonylaminocyclohexane carboxylate
    • Methyl trans-2-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate
    • 267230-27-3
    • A927075
    • CS-0047744
    • methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
    • trans-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-cyclohexanecarboxylic acid methyl ester
    • MFCD28166318
    • AKOS025289970
    • Methyl (IR,6R)-6-tert-butoxycarbonylaminocyclohexane carboxylate
    • SCHEMBL415859
    • Methyl (1R,6R)-6-tert-butoxycarbonylaminocyclohexane carboxylate
    • Methyl trans-2-(Boc-amino)cyclohexanecarboxylate
    • METHYL (1R,2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]CYCLOHEXANE-1-CARBOXYLATE
    • Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester
    • 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-/m1/s1
    • InChI Key: AWNIRXMMYAJMNG-NXEZZACHSA-N
    • SMILES: O(C)C([C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 257.16300
  • 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: 64.63000
  • LogP: 2.63380

Trans-cyclohexanecarboxylic Acid, 2-(1,1-dimethylethoxy)carbonylamino-, methyl ester Pricemore >>

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