
 CHEMBL111529

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.5112    0.7420   -1.8354 C   0  0  0  0  0
    2.4716    1.1311   -0.7534 C   0  0  0  0  0
    2.2064    1.8942    0.1636 O   0  0  0  0  0
    3.6638    0.5064   -0.9492 O   0  0  0  0  0
    4.7069    0.8053    0.0003 C   0  0  0  0  0
    5.7157   -0.3554   -0.0262 C   0  0  0  0  0
    7.1185    0.0145    0.4963 C   0  0  0  0  0
    7.0883    1.3206    1.2781 C   0  0  0  0  0
    6.7995    2.2940    0.1387 C   0  0  0  0  0
    5.3252    2.1845   -0.2864 C   0  0  0  0  0
    7.6092    1.7887   -0.9938 N   0  0  0  0  0
    8.0384    0.4218   -0.6565 C   0  0  0  0  0
    8.7452    2.6504   -1.2983 C   0  0  0  0  0
    1.9160    1.0267   -2.8101 H   0  0  0  0  0
    0.5642    1.2678   -1.6859 H   0  0  0  0  0
    1.3242   -0.3340   -1.7955 H   0  0  0  0  0
    4.2692    0.8207    1.0083 H   0  0  0  0  0
    5.7753   -0.7962   -1.0295 H   0  0  0  0  0
    5.3083   -1.1580    0.6039 H   0  0  0  0  0
    7.5480   -0.8127    1.0699 H   0  0  0  0  0
    6.3391    1.3374    2.0758 H   0  0  0  0  0
    8.0675    1.5264    1.7290 H   0  0  0  0  0
    7.0344    3.3308    0.4052 H   0  0  0  0  0
    4.7485    2.9355    0.2702 H   0  0  0  0  0
    5.1984    2.4612   -1.3416 H   0  0  0  0  0
    9.0792    0.3968   -0.3070 H   0  0  0  0  0
    7.9592   -0.2430   -1.5226 H   0  0  0  0  0
    8.3985    3.6450   -1.6000 H   0  0  0  0  0
    9.3172    2.2456   -2.1407 H   0  0  0  0  0
    9.4212    2.7662   -0.4435 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111529

>  <PubChem CID>
44337748

>  <Formula>
C10H17NO2

>  <Molecular Weight>
183.251000

>  <IUPAC Name>
[(3S)-6-methyl-6-azabicyclo[3.2.1]octan-3-yl] acetate

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)OC1CC2CC(C1)N(C2)C

>  <Isomeric SMILES>
CC(=O)O[C@H]1CC2CC(C1)N(C2)C

>  <InChI Std. ID>
InChI=1S/C10H17NO2/c1-7(12)13-10-4-8-3-9(5-10)11(2)6-8/h8-10H,3-6H2,1-2H3/t8?,9?,10-/m0/s1

>  <InChI Key>
FSBJEHDHWKZHJV-RTBKNWGFSA-N

