Cas no 1369532-07-9 ((S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid)

(S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid structure
1369532-07-9 structure
Product Name:(S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid
CAS No:1369532-07-9
MF:C12H21NO4
MW:243.29944396019
CID:2093183
Update Time:2023-11-19

(S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid
    • CID 91758826
    • (S)-2-((tert-butoxycarbonyl)amino)-5-methylhex-5-enoic acid alias:boc-5,6-dehydrohomoleucine
    • (S)-2-(Boc-amino)-5-methylhex-5-enoic acid
    • 5-Hexenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (2S)-
    • Inchi: 1S/C12H21NO4/c1-8(2)6-7-9(10(14)15)13-11(16)17-12(3,4)5/h9H,1,6-7H2,2-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
    • InChI Key: XIWUKCHYUNMNFR-VIFPVBQESA-N
    • SMILES: O(C(N[C@H](C(=O)O)CCC(=C)C)=O)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 304
  • Topological Polar Surface Area: 75.6

Experimental Properties

  • Density: 1.063±0.06 g/cm3(Predicted)
  • Boiling Point: 382.0±35.0 °C(Predicted)
  • pka: 3.97±0.10(Predicted)

(S)-2-((tert-Butoxycarbonyl)amino)-5-methylhex-5-enoic acid Pricemore >>

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