
 CHEMBL554011

 42 42  0  0  0  0  0  0  0  0999 V2000
    1.2537    0.4431    0.0603 C   0  0  0  0  0
    2.7021    0.2773    0.2698 N   0  0  0  0  0
    3.0804    0.2361    1.7001 C   0  0  0  0  0
    2.6876   -1.0934    2.3712 C   0  0  0  0  0
    3.3072   -2.2721    1.6031 C   0  0  0  0  0
    2.8839   -2.2206    0.1270 C   0  0  0  0  0
    3.2714   -0.8618   -0.4844 C   0  0  0  0  0
    2.9751   -3.6021    2.2405 C   0  0  0  0  0
    1.8525   -4.0666    2.3773 O   0  0  0  0  0
    4.0930   -4.2170    2.6404 N   0  0  0  0  0
    5.1111   -3.4100    2.3290 C   0  0  0  0  0
    6.2812   -3.6604    2.5723 O   0  0  0  0  0
    4.7030   -2.2725    1.7248 O   0  0  0  0  0
    4.1766   -5.5106    3.3040 C   0  0  0  0  0
    4.9578   -6.5382    2.4706 C   0  0  0  0  0
    4.2937   -6.8040    1.1130 C   0  0  0  0  0
    5.0554   -7.8475    0.3478 C   0  0  0  0  0
    5.5419   -7.5695   -0.7401 O   0  0  0  0  0
    5.1912   -9.0941    0.8701 O   0  0  0  0  0
    5.8818  -10.1083    0.2408 C   0  0  0  0  0
   -1.1580   -2.8767   -0.4077 Cl  0  0  0  0  0
    1.0370    0.5549   -1.0234 H   0  0  0  0  0
    0.9019    1.3687    0.5635 H   0  0  0  0  0
    0.6702   -0.4141    0.4507 H   0  0  0  0  0
    2.6190    1.0866    2.2480 H   0  0  0  0  0
    4.1821    0.3655    1.7792 H   0  0  0  0  0
    3.0338   -1.0951    3.4279 H   0  0  0  0  0
    1.5816   -1.1939    2.3806 H   0  0  0  0  0
    3.3709   -3.0410   -0.4442 H   0  0  0  0  0
    1.7867   -2.3638    0.0503 H   0  0  0  0  0
    4.3799   -0.7707   -0.4810 H   0  0  0  0  0
    2.9510   -0.8216   -1.5483 H   0  0  0  0  0
    3.1588   -5.9175    3.4922 H   0  0  0  0  0
    4.6725   -5.3807    4.2901 H   0  0  0  0  0
    4.9990   -7.4870    3.0494 H   0  0  0  0  0
    6.0003   -6.1889    2.3130 H   0  0  0  0  0
    4.2584   -5.8609    0.5243 H   0  0  0  0  0
    3.2535   -7.1642    1.2650 H   0  0  0  0  0
    5.8419  -11.0204    0.8712 H   0  0  0  0  0
    6.9451   -9.8180    0.1003 H   0  0  0  0  0
    5.4197  -10.3344   -0.7440 H   0  0  0  0  0
   -0.4098   -2.1938   -1.3388 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL554011

>  <PubChem CID>
45260772

>  <Formula>
C13H21ClN2O5

>  <Molecular Weight>
320.770000

>  <IUPAC Name>
methyl 4-(8-methyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)butanoate;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CCCC(=O)OC.Cl

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CCCC(=O)OC.Cl

>  <InChI Std. ID>
InChI=1S/C13H20N2O5.ClH/c1-14-8-5-13(6-9-14)11(17)15(12(18)20-13)7-3-4-10(16)19-2;/h3-9H2,1-2H3;1H

>  <InChI Key>
GIYLLQPOLCVFCR-UHFFFAOYSA-N

