Cas no 213316-20-2 (1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid)

1-(tert-Butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid is a versatile intermediate in organic synthesis, particularly valued for its dual functional groups—the tert-butoxycarbonyl (Boc) protected amine and the carboxylic acid moiety. The Boc group provides stability under basic conditions while allowing selective deprotection under acidic conditions, making it useful in peptide and heterocycle synthesis. The cyclopentene ring offers a reactive alkene for further functionalization, such as cycloadditions or hydrogenation. This compound is particularly advantageous in medicinal chemistry for constructing constrained scaffolds. Its well-defined reactivity profile and compatibility with standard synthetic protocols enhance its utility in multi-step transformations.
1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid structure
213316-20-2 structure
Product Name:1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid
CAS No:213316-20-2
MF:C11H17NO4
MW:227.2569835186
MDL:MFCD02683161
CID:242541
PubChem ID:10585395
Update Time:2025-06-07

1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-((tert-Butoxycarbonyl)amino)cyclopent-3-enecarboxylic acid
    • 1-(TERT-BUTOXYCARBONYLAMINO)CYCLOPENT-3-ENECARBOXYLIC ACID
    • 1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENT-3-ENECARBOXYLIC ACID
    • 1-(tert-butoxycarbonylamino)-3-cyclopentene-1-carboxylic acid
    • 1-tert-butoxycarbonylamino-cyclopent-3-ene-1-carboxylic acid
    • AB12420
    • AG-E-56322
    • AK111378
    • CTK1A0034
    • SureCN1157610
    • XAUHKCBBMAAOMD-UHFFFAOYSA-N
    • 0849AB
    • 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylic Acid
    • FCH1620449
    • AB0048161
    • ST24036959
    • 1-(TERT-BUTOXYCARBONYLAMINO)CYCL
    • 1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid
    • SCHEMBL1157610
    • DTXSID90442117
    • Z1505697251
    • CS-0186208
    • 1-(BOC-amino)cyclopent-3-enecarboxylic acid
    • EN300-313322
    • MFCD02683161
    • 213316-20-2
    • A850301
    • AS-41331
    • 1-((Tert-butoxycarbonyl)amino)cyclopent-3-enecarboxylic acid, 98%
    • 1-{[(tert-butoxy)carbonyl]amino}cyclopent-3-ene-1-carboxylic acid
    • 1-[(TERT-BUTOXYCARBONYL)AMINO]CYCLOPENT-3-ENE-1-CARBOXYLIC ACID
    • AMY25985
    • 1-((tert-Butoxycarbonyl)amino)cyclopent-3-enecarboxylicacid
    • AKOS016009666
    • MDL： MFCD02683161
    • Inchi： 1S/C11H17NO4/c1-10(2,3)16-9(15)12-11(8(13)14)6-4-5-7-11/h4-5H,6-7H2,1-3H3,(H,12,15)(H,13,14)
    • InChI Key： XAUHKCBBMAAOMD-UHFFFAOYSA-N
    • SMILES： O(C(NC1(C(=O)O)CC=CC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 227.11581
  • Monoisotopic Mass: 227.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.6
  • XLogP3: 1.5

Experimental Properties

  • PSA: 75.63
  • LogP: 1.88890

1-(tert-butoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid Pricemore >>

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abcr
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1-((tert-Butoxycarbonyl)amino)cyclopent-3-enecarboxylic acid, 95%; .
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abcr
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