Mrv1909 09181915292D          

 12 12  0  0  0  0            999 V2000
   -0.0115    0.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115   -0.4285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6558    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028   -0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259   -0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405    0.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -0.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028   -1.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -0.4285    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  1  0  0  0  0
  5  2  1  0  0  0  0
  2  6  1  6  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET02789

> <DATABASE_NAME>
drugbank

> <SMILES>
CC[C@H](N1CCCC1=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1

> <INCHI_KEY>
IODGAONBTQRGGG-LURJTMIESA-N

> <FORMULA>
C8H13NO3

> <MOLECULAR_WEIGHT>
171.196

> <EXACT_MASS>
171.089543283

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.374252115287067

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

> <ALOGPS_LOGP>
-0.10

> <JCHEM_LOGP>
0.21333671300000004

> <ALOGPS_LOGS>
0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9981213678480425

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5820271464388953

> <JCHEM_POLAR_SURFACE_AREA>
57.61000000000001

> <JCHEM_REFRACTIVITY>
42.2571

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.14e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET02789

> <NAME>
Levetiracetam carboxylic acid metabolite (L057)

> <UNII>
S19061909R

$$$$