
 CHEMBL543832

 45 45  0  0  0  0  0  0  0  0999 V2000
    2.5702   -1.2803    0.8469 C   0  0  0  0  0
    2.2374    0.0842    0.2456 C   0  0  0  0  0
    3.4268    0.9169    0.1419 N   0  0  0  0  0
    3.9700    1.3928   -0.9844 C   0  0  0  0  0
    3.5203    1.1711   -2.0992 O   0  0  0  0  0
    5.2012    2.2285   -0.6594 C   0  0  0  0  0
    5.0495    3.7052   -1.0698 C   0  0  0  0  0
    5.1719    3.8681   -2.5966 C   0  0  0  0  0
    6.4518    3.3232   -3.1160 N   0  0  0  0  0
    6.5720    1.8844   -2.7761 C   0  0  0  0  0
    6.4959    1.6399   -1.2529 C   0  0  0  0  0
    7.6683    4.0847   -2.7313 C   0  0  0  0  0
    7.6816    5.5161   -3.2911 C   0  0  0  0  0
    8.9806    6.2363   -2.9097 C   0  0  0  0  0
    8.9765    7.6455   -3.4263 C   0  0  0  0  0
    9.0481    8.5803   -2.6397 O   0  0  0  0  0
    8.8933    7.8695   -4.7629 O   0  0  0  0  0
    8.8580    9.1321   -5.3155 C   0  0  0  0  0
    5.2113    2.1191    0.7356 O   0  0  0  0  0
    4.1746    1.3638    1.1532 C   0  0  0  0  0
    3.9443    1.1304    2.3294 O   0  0  0  0  0
    0.9410    3.5121    2.3809 Cl  0  0  0  0  0
    1.6493   -1.8983    0.8982 H   0  0  0  0  0
    2.9754   -1.1770    1.8743 H   0  0  0  0  0
    3.3180   -1.8022    0.2131 H   0  0  0  0  0
    1.4786    0.5986    0.8736 H   0  0  0  0  0
    1.7935   -0.0848   -0.7593 H   0  0  0  0  0
    4.0759    4.1068   -0.7133 H   0  0  0  0  0
    5.8451    4.3043   -0.5812 H   0  0  0  0  0
    5.0412    4.9305   -2.8762 H   0  0  0  0  0
    4.3311    3.3402   -3.0934 H   0  0  0  0  0
    7.5242    1.4700   -3.1736 H   0  0  0  0  0
    5.7596    1.3240   -3.2852 H   0  0  0  0  0
    6.5671    0.5531   -1.0292 H   0  0  0  0  0
    7.3675    2.1260   -0.7687 H   0  0  0  0  0
    8.5600    3.5645   -3.1472 H   0  0  0  0  0
    7.7931    4.1288   -1.6311 H   0  0  0  0  0
    6.8414    6.1038   -2.8699 H   0  0  0  0  0
    7.5824    5.4776   -4.3981 H   0  0  0  0  0
    9.8554    5.6982   -3.3338 H   0  0  0  0  0
    9.0784    6.2501   -1.8009 H   0  0  0  0  0
    8.7940    9.0440   -6.4193 H   0  0  0  0  0
    9.7813    9.6921   -5.0537 H   0  0  0  0  0
    7.9665    9.6850   -4.9488 H   0  0  0  0  0
    1.5078    3.4332    1.1302 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 22 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543832

>  <PubChem CID>
45260766

>  <Formula>
C14H23ClN2O5

>  <Molecular Weight>
334.797000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN1C(=O)C2(CCN(CC2)CCCC(=O)OC)OC1=O.Cl

>  <Isomeric SMILES>
CCN1C(=O)C2(CCN(CC2)CCCC(=O)OC)OC1=O.Cl

>  <InChI Std. ID>
InChI=1S/C14H22N2O5.ClH/c1-3-16-12(18)14(21-13(16)19)6-9-15(10-7-14)8-4-5-11(17)20-2;/h3-10H2,1-2H3;1H

>  <InChI Key>
MJIPZYGCPGVFLV-UHFFFAOYSA-N

