Cas no 81131-40-0 ((1S,3R)-3-aminocyclohexane-1-carboxylic acid)

(1S,3R)-3-Aminocyclohexane-1-carboxylic acid is a chiral cyclohexane derivative featuring both amino and carboxylic acid functional groups in a stereospecific configuration. This compound serves as a valuable building block in organic synthesis and pharmaceutical research, particularly in the design of peptidomimetics and constrained analogs of bioactive molecules. The rigid cyclohexane scaffold and defined stereochemistry at the 1- and 3-positions enhance structural control in drug development, enabling precise modulation of conformational and steric properties. Its bifunctional nature allows for versatile derivatization, facilitating applications in asymmetric synthesis and medicinal chemistry. The compound is typically characterized by high purity and stability, making it suitable for rigorous synthetic and analytical applications.
(1S,3R)-3-aminocyclohexane-1-carboxylic acid structure
81131-40-0 structure
Product Name:(1S,3R)-3-aminocyclohexane-1-carboxylic acid
CAS No:81131-40-0
MF:C7H13NO2
MW:143.183622121811
MDL:MFCD28502740
CID:986406
PubChem ID:125307663
Update Time:2025-05-20

(1S,3R)-3-aminocyclohexane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1S,3R)-3-Aminocyclohexanecarboxylic Acid
    • (1S,3R) -3-AMINO-CYCLOHEXANECARBOXYLIC ACID
    • Cyclohexanecarboxylic acid, 3-amino-, (1S-cis)- (9CI)
    • (1S,3R)-3-aminocyclohexane-1-carboxylic acid
    • (1S,3R)-3-Aminocyclohexanecarboxylic acid (ACI)
    • (1S,3R)-Aminocyclohexanecarboxylic Acid
    • (1S,3R)-3-AminocyclohexanecarboxylicAcid
    • O10019
    • MFCD09753648
    • AS-49896
    • AKOS016844356
    • rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid
    • CS-0143878
    • Cyclohexanecarboxylic acid,3-amino-,(1s-cis)-(9ci)
    • A2286
    • DB-002972
    • EN300-392778
    • cis-3-amino-cyclohexanecarboxlic acid
    • ACHC
    • CKTUXQBZPWBFDX-NTSWFWBYSA-N
    • EN300-153717
    • SCHEMBL1527350
    • 81131-40-0
    • cis-3-aminocyclohexane carboxylic acid
    • cis-3-amino-cyclohexanecarboxylic acid
    • MDL： MFCD28502740
    • Inchi： 1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m0/s1
    • InChI Key： CKTUXQBZPWBFDX-NTSWFWBYSA-N
    • SMILES： C([C@H]1CCC[C@@H](N)C1)(=O)O

Computed Properties

  • Exact Mass: 143.09500
  • Monoisotopic Mass: 143.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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: -2.2
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Melting Point: 240°C(lit.)
  • PSA: 63.32000
  • LogP: 1.28880

(1S,3R)-3-aminocyclohexane-1-carboxylic acid Pricemore >>

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abcr
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(1S,3R)-3-Aminocyclohexanecarboxylic acid, 98%; .
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(1S,3R)-3-aminocyclohexane-1-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Solvents: Methanol ;  3 h, rt
2.1 Reagents: Triethylamine Solvents: 1,4-Dioxane ,  Water ;  24 h, rt
3.1 Reagents: (S)-1-Phenylethylamine Solvents: Ethylene glycol ,  Methyl ether
4.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  2 d, rt
4.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  0 °C; 0 °C → rt; overnight, rt
Reference
Synthesis of stereoisomers of 3-aminocyclohexanecarboxylic acid and cis-3-aminocyclohexene-5-carboxylic acid
Hu, Yu; et al, Chinese Journal of Chemistry, 2006, 24(6), 795-799

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  2 d, rt
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  0 °C; 0 °C → rt; overnight, rt
Reference
Synthesis of stereoisomers of 3-aminocyclohexanecarboxylic acid and cis-3-aminocyclohexene-5-carboxylic acid
Hu, Yu; et al, Chinese Journal of Chemistry, 2006, 24(6), 795-799

Production Method 3

Reaction Conditions
1.1 Reagents: (S)-1-Phenylethylamine Solvents: Ethylene glycol ,  Methyl ether
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  2 d, rt
2.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  0 °C; 0 °C → rt; overnight, rt
Reference
Synthesis of stereoisomers of 3-aminocyclohexanecarboxylic acid and cis-3-aminocyclohexene-5-carboxylic acid
Hu, Yu; et al, Chinese Journal of Chemistry, 2006, 24(6), 795-799

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: 1,4-Dioxane ,  Water ;  24 h, rt
2.1 Reagents: (S)-1-Phenylethylamine Solvents: Ethylene glycol ,  Methyl ether
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  2 d, rt
3.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  0 °C; 0 °C → rt; overnight, rt
Reference
Synthesis of stereoisomers of 3-aminocyclohexanecarboxylic acid and cis-3-aminocyclohexene-5-carboxylic acid
Hu, Yu; et al, Chinese Journal of Chemistry, 2006, 24(6), 795-799

(1S,3R)-3-aminocyclohexane-1-carboxylic acid Raw materials

(1S,3R)-3-aminocyclohexane-1-carboxylic acid Preparation Products

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