Mrv1652309272007262D          

  5  4  0  0  0  0            999 V2000
    1.8187    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00016

> <DATABASE_NAME>
YMDB

> <SMILES>
NCC(O)=O

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

> <INCHI_KEY>
DHMQDGOQFOQNFH-UHFFFAOYSA-N

> <FORMULA>
C2H5NO2

> <MOLECULAR_WEIGHT>
75.0666

> <EXACT_MASS>
75.032028409

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.647019971293048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-aminoacetic 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>
glycine

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00016

> <GENERIC_NAME>
Glycine

> <SYNONYMS>
2-Aminoacetate; 2-Aminoacetic acid; Acid, aminoacetic; Aciport; amino-Acetate; amino-Acetic acid; Aminoacetate; Aminoacetic acid; Aminoessigsaeure; Aminoethanoate; Aminoethanoic acid; Calcium salt glycine; Cobalt salt glycine; Copper salt glycine; G; Glicoamin; Gly; Glycin; Glycine carbonate (1:1), monosodium salt; Glycine carbonate (2:1), monolithium salt; Glycine carbonate (2:1), monopotassium salt; Glycine carbonate (2:1), monosodium salt; Glycine hydrochloride; Glycine hydrochloride (2:1); Glycine phosphate; Glycine phosphate (1:1); Glycine sulfate (3:1); Glycine, calcium salt; Glycine, calcium salt (2:1); Glycine, cobalt salt; Glycine, copper salt; Glycine, monoammonium salt; Glycine, monopotasssium salt; Glycine, monosodium salt; Glycine, sodium hydrogen carbonate; Glycocoll; Glycolixir; Glycosthene; Glykokoll; Glyzin; Gyn-Hydralin; H2N-CH2-COOH; Hgly; Hydrochloride, glycine; Leimzucker; Monoammonium salt glycine; Monopotasssium salt glycine; Monosodium salt glycine; Padil; Phosphate, glycine; Salt glycine, monoammonium; Salt glycine, monosodium

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