Cas no 336100-66-4 (Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-)

Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- structure
336100-66-4 structure
Product Name:Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
CAS No:336100-66-4
MF:C11H21NO2
MW:199.28994345665
CID:301923
PubChem ID:28182705
Update Time:2025-04-19

Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 1-amino-5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
    • (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
    • (1S,2S,5R)-1-Amino-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylic acid
    • 336100-66-4
    • DTXSID10651163
    • Inchi: 1S/C11H21NO2/c1-7(2)9-5-4-8(3)6-11(9,12)10(13)14/h7-9H,4-6,12H2,1-3H3,(H,13,14)/t8-,9+,11+/m1/s1
    • InChI Key: JQVZBHFMBLSPCF-YWVKMMECSA-N
    • SMILES: OC([C@@]1(C[C@H](C)CC[C@H]1C(C)C)N)=O

Computed Properties

  • Exact Mass: 199.15733
  • Monoisotopic Mass: 199.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32
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