Cas no 2137660-33-2 (Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-)

Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- structure
2137660-33-2 structure
Product Name:Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS No:2137660-33-2
MF:C16H29NO4
MW:299.405765295029
CID:5258245
PubChem ID:165824281
Update Time:2023-08-23

Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
    • EN300-364214
    • 4-{[(tert-butoxy)carbonyl]amino}-3-cycloheptylbutanoic acid
    • 2137660-33-2
    • Inchi: 1S/C16H29NO4/c1-16(2,3)21-15(20)17-11-13(10-14(18)19)12-8-6-4-5-7-9-12/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
    • InChI Key: WBHDZMXNMMBQSV-UHFFFAOYSA-N
    • SMILES: C1(C(CNC(OC(C)(C)C)=O)CC(O)=O)CCCCCC1

Computed Properties

  • Exact Mass: 299.20965841g/mol
  • Monoisotopic Mass: 299.20965841g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 341
  • 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: 4
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Density: 1.060±0.06 g/cm3(Predicted)
  • Boiling Point: 458.6±28.0 °C(Predicted)
  • pka: 4.67±0.10(Predicted)

Cycloheptanepropanoic acid, β-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- Pricemore >>

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