
 CHEMBL552656

 39 39  0  0  0  0  0  0  0  0999 V2000
    3.2922   -1.0960    0.4883 C   0  0  0  0  0
    2.5423    0.2391    0.3491 C   0  0  0  0  0
    1.5950    0.1215   -0.8768 C   0  0  0  0  0
    1.6150    0.4028    1.5864 C   0  0  0  0  0
    3.4823    1.4040    0.2047 N   0  0  0  0  0
    3.9822    1.9227   -0.9426 C   0  0  0  0  0
    3.6323    1.5913   -2.0632 O   0  0  0  0  0
    5.1539    2.8617   -0.6302 C   0  0  0  0  0
    5.2013    4.2905   -1.2223 C   0  0  0  0  0
    5.6296    4.3360   -2.7124 C   0  0  0  0  0
    6.7779    3.4576   -3.0566 N   0  0  0  0  0
    6.7125    2.1075   -2.4723 C   0  0  0  0  0
    6.4711    2.1507   -0.9618 C   0  0  0  0  0
    8.1268    4.0480   -3.0732 C   0  0  0  0  0
    5.0456    2.9247    0.7510 O   0  0  0  0  0
    4.1220    2.0550    1.2025 C   0  0  0  0  0
    3.9376    1.8815    2.3903 O   0  0  0  0  0
   -0.0001   -2.4882   -2.7518 Cl  0  0  0  0  0
    3.9268   -1.1122    1.3961 H   0  0  0  0  0
    3.9086   -1.2946   -0.4116 H   0  0  0  0  0
    2.5592   -1.9348    0.5764 H   0  0  0  0  0
    2.1481   -0.0900   -1.8091 H   0  0  0  0  0
    0.9929    1.0501   -1.0037 H   0  0  0  0  0
    0.8978   -0.7349   -0.7756 H   0  0  0  0  0
    2.1777    0.4092    2.5388 H   0  0  0  0  0
    0.9165   -0.4588    1.6694 H   0  0  0  0  0
    1.0052    1.3295    1.5227 H   0  0  0  0  0
    4.2410    4.8342   -1.0705 H   0  0  0  0  0
    5.9804    4.8420   -0.6516 H   0  0  0  0  0
    4.7730    4.0054   -3.3294 H   0  0  0  0  0
    5.8453    5.3935   -2.9947 H   0  0  0  0  0
    7.6486    1.5429   -2.6687 H   0  0  0  0  0
    5.8993    1.5513   -2.9765 H   0  0  0  0  0
    6.4385    1.1127   -0.5579 H   0  0  0  0  0
    7.3117    2.6797   -0.4658 H   0  0  0  0  0
    8.1339    4.9846   -3.6698 H   0  0  0  0  0
    8.8164    3.3516   -3.6064 H   0  0  0  0  0
    8.5297    4.2312   -2.0562 H   0  0  0  0  0
    0.3729   -1.1912   -3.0177 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 15  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL552656

>  <PubChem CID>
45260719

>  <Formula>
C12H21ClN2O3

>  <Molecular Weight>
276.761000

>  <IUPAC Name>
3-tert-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)N1C(=O)C2(CCN(CC2)C)OC1=O.Cl

>  <Isomeric SMILES>
CC(C)(C)N1C(=O)C2(CCN(CC2)C)OC1=O.Cl

>  <InChI Std. ID>
InChI=1S/C12H20N2O3.ClH/c1-11(2,3)14-9(15)12(17-10(14)16)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H

>  <InChI Key>
BTLRIQYOATXZIP-UHFFFAOYSA-N

