142
  Mrv0541 02231214282D          

 10  9  0  0  1  0            999 V2000
    4.5079    0.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3645   -0.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  7  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00142

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
WHUUTDBJXJRKMK-VKHMYHEASA-N

> <FORMULA>
C5H9NO4

> <MOLECULAR_WEIGHT>
147.1293

> <EXACT_MASS>
147.053157781

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.002379472360221

> <JCHEM_AVERAGE_POLARIZABILITY>
13.321186860931029

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.54

> <JCHEM_LOGP>
-3.241447075983049

> <ALOGPS_LOGS>
-0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.27124634014693

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8777772810395927

> <JCHEM_PKA_STRONGEST_BASIC>
9.536217151721162

> <JCHEM_POLAR_SURFACE_AREA>
100.61999999999999

> <JCHEM_REFRACTIVITY>
31.287699999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00142

> <SECONDARY_ACCESSION_NUMBERS>
NUTR00027

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
Glutamic acid

> <SYNONYMS>
(2S)-2-Aminopentanedioic acid; (S)-2-Aminopentanedioic acid; (S)-Glutamic acid; ácido glutámico; Glu; Glutamic acid; L-Glutamate; L-Glutamic acid; L-Glutaminic acid

> <PRODUCTS>
20% Prosol; Aminosyn II; Aminosyn II 10% With Electrolytes; Aminosyn II 5% Inj; Aminosyn II 7% Injection; Aminosyn II 7% M In 10% Dextrose(dual Chamber); Aminosyn II 7% With 10% Dextrose; Aminosyn II 7% With 50% Dextrose; Aminosyn II 8.5% Injection; Aminosyn II 8.5% M In 20% Dextrose (dual Chamber); Aminosyn II 8.5% With 50% Dextrose; Aminosyn II In Dextrose Injection; Aminosyn II and Dextrose; Aminosyn II in Dextrose; Aminosyn II with Electrolytes; Aminosyn II with Electrolytes in Dextrose with Calcium; Aminosyn-PF; Aminosyn-PF 10%; Aminosyn-PF 7%; Clinisol; Glutamic Acid HCl Betaine HCl W Pepsin; Glutamic Acid HCl Cap 325mg; Glutamic Acid Hydrochloride Nu Life; Glutamic Acid Pepsin and Betaine Tablets; Kabiven; Novamine; Olimel 3.3% E; Olimel 4.4%; Olimel 4.4% E; Olimel 5.7%; Olimel 5.7% E; Olimel 7.6%; Olimel 7.6% E; Perikabiven; Periolimel 2.5% E; Plenamine; Premasol - sulfite-free (Amino Acid); Primene; Primene 10%; Primene 10%-liq IV; ProSol; Stomach Aid-digestive Aid; TrophAmine; Vamin 18 Electrolyte-free; Vamin N; Women Secret; Women Secret Care

> <SALTS>
Glutamic acid hydrochloride

$$$$