Mrv1652302241718312D          

 11  9  0  0  1  0            999 V2000
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9039   -0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.0164    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  6  0  0  0
M  CHG  2   9  -1  11   1
M  END
> <DATABASE_ID>
DBSALT002231

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].N[C@@H](CCC(N)=O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2O3.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H2,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1

> <INCHI_KEY>
YWOPZILGDZKFFC-DFWYDOINSA-M

> <FORMULA>
C5H9N2NaO3

> <MOLECULAR_WEIGHT>
168.128

> <EXACT_MASS>
168.05108644

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.34491111799592

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium (2S)-2-amino-4-carbamoylbutanoate

> <ALOGPS_LOGP>
-1.63

> <JCHEM_LOGP>
-4.001133405103188

> <ALOGPS_LOGS>
0.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.24489083303041

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.14714261629068

> <JCHEM_PKA_STRONGEST_BASIC>
9.312090619392574

> <JCHEM_POLAR_SURFACE_AREA>
109.24

> <JCHEM_REFRACTIVITY>
43.947

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium L-glutaminate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002231

> <NAME>
Glutamine sodium

> <DRUG_DRUGBANK_ID>
DB00130

> <DRUG_NAME>
L-Glutamine

> <CAS_NUMBER>
73477-31-3

> <UNII>
IA7707HOQ8

$$$$