Cas no 503167-50-8 (methyl (1S,2R)-2-aminocyclohexane-1-carboxylate)

Technical Introduction: Methyl (1S,2R)-2-aminocyclohexane-1-carboxylate is a chiral cyclohexane derivative featuring both amino and ester functional groups. Its stereochemically defined (1S,2R) configuration makes it a valuable intermediate in asymmetric synthesis, particularly for pharmaceuticals and fine chemicals. The compound’s rigid cyclohexane backbone enhances conformational stability, while the methyl ester group offers reactivity for further derivatization. Its amino group enables participation in amidation or condensation reactions, broadening its utility in peptidomimetics and bioactive molecule design. The product’s high enantiopurity ensures reproducibility in chiral synthesis, making it a preferred choice for researchers requiring precise stereochemical control. Suitable for use under inert conditions, it is typically handled as a hydrochloride salt to improve stability.
methyl (1S,2R)-2-aminocyclohexane-1-carboxylate structure
503167-50-8 structure
Product Name:methyl (1S,2R)-2-aminocyclohexane-1-carboxylate
CAS No:503167-50-8
MF:C8H15NO2
MW:157.210202455521
MDL:MFCD18830939
CID:2183388
PubChem ID:11008182
Update Time:2025-06-07

methyl (1S,2R)-2-aminocyclohexane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid,2-amino-,methyl ester,(1s,2r)-(9ci)
    • methyl (1S,2R)-2-aminocyclohexane-1-carboxylate
    • AKOS026740127
    • (1S,2R)-2-aminocyclohexanecarboxylic acid methyl ester
    • SCHEMBL4483433
    • methyl (1S,2R)-2-aminocyclohexanecarboxylate
    • SUYHWZRODJBJER-NKWVEPMBSA-N
    • (1S,2R)-Methyl 2-aminocyclohexanecarboxylate
    • 503167-50-8
    • EN300-210269
    • (1S,2R)-2-amino-cyclohexanecarboxylic acid methyl ester
    • MDL: MFCD18830939
    • Inchi: 1S/C8H15NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7+/m0/s1
    • InChI Key: SUYHWZRODJBJER-NKWVEPMBSA-N
    • SMILES: O(C)C([C@H]1CCCC[C@H]1N)=O

Computed Properties

  • Exact Mass: 157.110278721Da
  • Monoisotopic Mass: 157.110278721Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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: 1.1
  • Topological Polar Surface Area: 52.3?2

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