-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1042    0.2042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.5292    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0917    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6042   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
  3  6  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <ID> (BBL000370)
BBL000370

>  <Rotatable_Bonds> (BBL000370)
2

>  <logP> (BBL000370)
1.649

>  <PSA> (BBL000370)
57.61

>  <H_Donors> (BBL000370)
1

>  <H_Acceptors> (BBL000370)
3

>  <Number_of_rings> (BBL000370)
2

>  <NAME> (BBL000370)
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

>  <Mol_Weight> (BBL000370)
233.27

>  <Mol_Formula> (BBL000370)
C13H15NO3

>  <Smiles> (BBL000370)
Cc1ccc(cc1N1CC(CC1=O)C(=O)O)C

>  <CAS_Number> (BBL000370)
63674-68-0

>  <Alternative_identifier> (BBL000370)
MFCD00469835

$$$$