Cas no 245115-25-7 ((1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid)

(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid structure
245115-25-7 structure
Product Name:(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
CAS No:245115-25-7
MF:C11H19NO4
MW:229.27286362648
MDL:MFCD04974223
CID:1025455
PubChem ID:1268161
Update Time:2024-10-30

(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1R,2R)-2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
    • (1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
    • (1R,2R)-Boc-Acpc
    • (1R,2R)-Boc-aminocyclopentane carboxylic Acid
    • (1S,2R)-Boc-2-amino-1-cyclopentanecarboxylic acid
    • trans-2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
    • (1R,2R)-2-(N-BOC-AMino)cyclopentanecarboxylic acid
    • (1R,2R)-2-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid
    • (2R)-1-tert-butoxycarbonyl-2-carboxymethylpyrrolidine
    • (R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-acetic acid
    • (r)-2-(1-(tert-butoxycarbonyl)pyrrolidin-2-yl)acetic acid
    • (R)-2-(N-Boc-pyrrolidin-2-yl)acetic acid
    • (R)-2-carboxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
    • (r)-boc-pyrrolidine-2-acetic acid
    • (R,R)-Boc-ACPC-OH
    • [(2R)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl]acetic acid
    • Boc-en
    • (1R,2R)-2-Boc-amino-cyclopentanecarboxylic acid
    • (1r,2r)-boc-2-amino-1-cyclopentanecarboxylic acid
    • Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,2R)-rel-
    • (1R,2R)-rel-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-Cyclopentanecarboxylic acid
    • rel-(1R,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid
    • DTXSID001137593
    • EN300-6473083
    • 245115-25-7
    • AS-47000
    • rac-(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
    • trans-2-(Boc-amino)cyclopentane-1-carboxylic acid
    • MFCD04974223
    • EN300-7292999
    • AKOS015900762
    • CS-0356790
    • Z2306886234
    • (1R,2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclopentane carboxylic acid
    • (1R,2R)-2-(BOC-amino)cyclopentanecarboxylic acid
    • (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
    • A886842
    • (1R,2R)-1-(Boc-amino)cyclopentane-2-carboxylic acid
    • 136315-71-4
    • F11182
    • SCHEMBL1461257
    • trans-2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylicacid
    • (1R,2R)-2-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid
    • trans-N-Boc-2-Aminocyclopentanecarboxylic Acid
    • trans-2-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid
    • CS-0056287
    • (1R,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopentanecarboxylic acid (ACI)
    • (1R,2R)-2-[(tert-Butoxycarbonyl)amino]cyclopentanecarboxylic acid
    • Boc-trans-2-aMinocyclopentane
    • MDL: MFCD04974223
    • Inchi: 1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1
    • InChI Key: BUEPEVBYNBQNED-HTQZYQBOSA-N
    • SMILES: O(C(C)(C)C)C(N[C@@H]1CCC[C@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 229.13100
  • Monoisotopic Mass: 229.13140809g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 282
  • 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: 1.9
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (3 g/l) (25 o C),
  • PSA: 75.63000
  • LogP: 2.15530

(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid Security Information

  • HazardClass:IRRITANT

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(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium hydroxide
1.2 Reagents: Hydrogen Catalysts: Palladium
1.3 -
Reference
(S,S)-trans-Cyclopentane-Constrained Peptide Nucleic Acids. A General Backbone Modification that Improves Binding Affinity and Sequence Specificity
Pokorski, Jonathan K.; Witschi, Mark A.; Purnell, Bethany L.; Appella, Daniel H., Journal of the American Chemical Society, 2004, 126(46), 15067-15073

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium hydroxide, monohydrate ,  Hydrogen peroxide Solvents: Methanol ,  Water ;  rt → 0 °C; 20 h, 5 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Synthesis and Structural Characterization of Helix-Forming β-Peptides: trans-2-Aminocyclopentanecarboxylic Acid Oligomers
Appella, Daniel H.; Christianson, Laurie A.; Klein, Daniel A.; Richards, Michele R.; Powell, Douglas R.; et al, Journal of the American Chemical Society, 1999, 121(33), 7574-7581

(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid Raw materials

(1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid Preparation Products

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