-ISIS-  08091621332D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.8708   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8625    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7417   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <ID> (BBL000516)
BBL000516

>  <Rotatable_Bonds> (BBL000516)
3

>  <logP> (BBL000516)
-0.364

>  <PSA> (BBL000516)
66.4

>  <H_Donors> (BBL000516)
2

>  <H_Acceptors> (BBL000516)
3

>  <Number_of_rings> (BBL000516)
0

>  <NAME> (BBL000516)
oxo(propan-2-ylamino)acetic acid

>  <Mol_Weight> (BBL000516)
131.13

>  <Mol_Formula> (BBL000516)
C5H9NO3

>  <Smiles> (BBL000516)
CC(NC(=O)C(=O)O)C

>  <CAS_Number> (BBL000516)
29262-57-5

$$$$