Mrv1652305062021442D          

 10  9  0  0  0  0            999 V2000
    2.0930    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7778   -0.2862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662    0.5997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795    0.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  ISO  5   6   2   7   2   8   2   9   2  10   2
M  END
> <DATABASE_ID>
BMDB0109732

> <DATABASE_NAME>
bmdb

> <SMILES>
[2H]OC(=O)C([2H])([2H])N([2H])[2H]

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2/hD3

> <INCHI_KEY>
DHMQDGOQFOQNFH-LGLHGEJLSA-N

> <FORMULA>
C2H5NO2

> <MOLECULAR_WEIGHT>
80.098

> <EXACT_MASS>
80.063412135

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.647019971293049

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2H2)amino](2H2)ethane(2H)oic acid

> <ALOGPS_LOGP>
-3.34

> <JCHEM_LOGP>
-3.409459573132419

> <ALOGPS_LOGS>
0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3074568824727444

> <JCHEM_PKA_STRONGEST_BASIC>
9.240341660583645

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
16.0034

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2H2)amino](2H2)ethane(2H)oic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0109732

> <GENERIC_NAME>
Glycine-d5

$$$$