Cas no 2137652-97-0 (3-{(tert-butoxy)carbonylamino}-3-cyclopropylbutanoic acid)

3-{(tert-butoxy)carbonylamino}-3-cyclopropylbutanoic acid structure
2137652-97-0 structure
Product Name:3-{(tert-butoxy)carbonylamino}-3-cyclopropylbutanoic acid
CAS No:2137652-97-0
MF:C12H21NO4
MW:243.29944396019
MDL:MFCD30727037
CID:5222814
PubChem ID:165799460
Update Time:2023-11-25

3-{(tert-butoxy)carbonylamino}-3-cyclopropylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-β-methyl-
    • 2137652-97-0
    • EN300-343178
    • 3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylbutanoic acid
    • 3-{(tert-butoxy)carbonylamino}-3-cyclopropylbutanoic acid
    • MDL: MFCD30727037
    • Inchi: 1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(4,7-9(14)15)8-5-6-8/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
    • InChI Key: XEXXPUQIIPFZGG-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NC(C)(CC(=O)O)C1CC1)=O

Computed Properties

  • Exact Mass: 243.14705815g/mol
  • Monoisotopic Mass: 243.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 317
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Density: 1.164±0.06 g/cm3(Predicted)
  • Boiling Point: 386.0±25.0 °C(Predicted)
  • pka: 4.41±0.10(Predicted)

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylbutanoic acid
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3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylbutanoic acid
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