Mrv1652304061700052D          

 11  9  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7436    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436    0.2888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0291   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -0.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725    0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581   -0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002484

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.N[C@@H](CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1

> <INCHI_KEY>
RPAJSBKBKSSMLJ-DFWYDOINSA-N

> <FORMULA>
C5H10ClNO4

> <MOLECULAR_WEIGHT>
183.59

> <EXACT_MASS>
183.0298355

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
13.488144473214781

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-aminopentanedioic acid hydrochloride

> <ALOGPS_LOGP>
-3.54

> <JCHEM_LOGP>
-3.241447075983049

> <ALOGPS_LOGS>
-0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.27124634014693

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8777772810395925

> <JCHEM_PKA_STRONGEST_BASIC>
9.536217151721162

> <JCHEM_POLAR_SURFACE_AREA>
100.62

> <JCHEM_REFRACTIVITY>
31.2877

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-glutamic acid hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002484

> <NAME>
Glutamic acid hydrochloride

> <DRUG_DRUGBANK_ID>
DB00142

> <DRUG_NAME>
Glutamic acid

> <CAS_NUMBER>
138-15-8

> <UNII>
M0C2SP444T

$$$$