Mrv1652304062013072D          

  7  6  0  0  0  0            999 V2000
   -1.4292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8253    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB111681

> <DATABASE_NAME>
foodb

> <SMILES>
CCNCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)

> <INCHI_KEY>
YPIGGYHFMKJNKV-UHFFFAOYSA-N

> <FORMULA>
C4H9NO2

> <MOLECULAR_WEIGHT>
103.1198

> <EXACT_MASS>
103.063328537

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
10.651961831692427

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(ethylamino)acetic acid

> <ALOGPS_LOGP>
-2.52

> <JCHEM_LOGP>
-2.8294405628567305

> <ALOGPS_LOGS>
0.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.195426119452501

> <JCHEM_PKA_STRONGEST_BASIC>
10.425872648298627

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
25.526600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.63e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-ethylglycine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB111681

> <GENERIC_NAME>
N-Ethylglycine

$$$$