-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.0083    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
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID> (BBL000605)
BBL000605

>  <Rotatable_Bonds> (BBL000605)
3

>  <logP> (BBL000605)
0.817

>  <PSA> (BBL000605)
66.4

>  <H_Donors> (BBL000605)
2

>  <H_Acceptors> (BBL000605)
3

>  <Number_of_rings> (BBL000605)
1

>  <NAME> (BBL000605)
(cyclohexylamino)(oxo)acetic acid

>  <Mol_Weight> (BBL000605)
171.20

>  <Mol_Formula> (BBL000605)
C8H13NO3

>  <Smiles> (BBL000605)
O=C(C(=O)O)NC1CCCCC1

>  <CAS_Number> (BBL000605)
13144-62-2

>  <Alternative_identifier> (BBL000605)
MFCD01612614

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