Cas no 349551-31-1 ((2S)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrate)

(2S)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrate structure
349551-31-1 structure
Product Name:(2S)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrate
CAS No:349551-31-1
MF:C13H25NO5
MW:275.341304540634
CID:2654415
Update Time:2023-08-07

(2S)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrate Chemical and Physical Properties

Names and Identifiers

    • C13H23NO4.H2O
    • Boc-Chg-OH yenH2O
    • Boc-Chg-OH H2O
    • 6290AH
    • N-alpha-(t-Butoxycarbonyl)-L-cyclohexylglycine hydrate
    • (2S)-2-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrate
    • Inchi: 1S/C13H23NO4.H2O/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9;/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16);1H2/t10-;/m0./s1
    • InChI Key: YHEBVGPODLEGHS-PPHPATTJSA-N
    • SMILES: O(C(C)(C)C)C(N[C@H](C(=O)O)C1CCCCC1)=O.O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 303
  • Topological Polar Surface Area: 76.6

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