Cas no 367268-12-0 (Carbamic acid, [(1S)-1-(aminocarbonyl)butyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, [(1S)-1-(aminocarbonyl)butyl]-, 1,1-dimethylethyl ester (9CI) structure
367268-12-0 structure
Product Name:Carbamic acid, [(1S)-1-(aminocarbonyl)butyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:367268-12-0
MF:C10H20N2O3
MW:216.277402877808
CID:921582
PubChem ID:45092252
Update Time:2025-04-19

Carbamic acid, [(1S)-1-(aminocarbonyl)butyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, [(1S)-1-(aminocarbonyl)butyl]-, 1,1-dimethylethyl ester (9CI)
    • (S)-tert-Butyl(1-amino-1-oxopentan-2-yl)carbamate
    • (S)-tert-Butyl (1-amino-1-oxopentan-2-yl)carbamate
    • SCHEMBL14302356
    • 367268-12-0
    • Inchi: 1S/C10H20N2O3/c1-5-6-7(8(11)13)12-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,14)/t7-/m0/s1
    • InChI Key: PLSVEHCDSMTWCP-ZETCQYMHSA-N
    • SMILES: O(C(N[C@H](C(N)=O)CCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 216.147
  • Monoisotopic Mass: 216.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 81.4A^2
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