Mrv1572004221607012D          

 12 12  0  0  0  0            999 V2000
    0.6725    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    3.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506    3.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9986    2.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311    4.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159    3.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2449    3.2332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    4.6057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159    4.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020780

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOC(=O)CN1CCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3

> <INCHI_KEY>
AQZWKPDVWWJWRY-UHFFFAOYSA-N

> <FORMULA>
C8H13NO3

> <MOLECULAR_WEIGHT>
171.196

> <EXACT_MASS>
171.089543283

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.679238203211394

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
ethyl 2-(2-oxopyrrolidin-1-yl)acetate

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-0.3752479136666672

> <ALOGPS_LOGS>
0.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.0035428280485124

> <JCHEM_POLAR_SURFACE_AREA>
46.61

> <JCHEM_REFRACTIVITY>
42.75690000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.18e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl 2-(2-oxopyrrolidin-1-yl)acetate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ethyl 2-oxopyrrolidin-2-ylacetate

> <CAS>
61516-73-2

> <SYNONYMS>
ethyl 2-oxopyrrolidine-1-acetate

$$$$