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
> <DRUGBANK_ID>
DB00142

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
L-Glutamic Acid

> <SYNONYMS>
(2S)-2-Aminopentanedioic acid; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioic acid; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylic acid; 2-Aminoglutaric acid; 2-Aminopentanedioic acid; a-Aminoglutaric acid; a-Glutamic acid; Glutamic acid; Glutaminic acid; L-(+)-Glutamic acid; L-a-Aminoglutaric acid; L-Glutamate; L-Glutaminic acid

> <BRANDS>
Aciglut; Glusate; Glutacid; Glutamicol; Glutamidex; Glutaminol; Glutaton

> <CHEMICAL_FORMULA>
C5H9NO4

> <MOLECULAR_WEIGHT>
147.1293

> <EXACT_MASS>
147.053157781

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

> <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>
InChIKey=WHUUTDBJXJRKMK-VKHMYHEASA-N

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

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_ACIDIC_PKA>
4.27

> <ALOGPS_LOGP>
-3.5

> <JCHEM_LOGP>
-3.2

> <ALOGPS_LOGS>
-0.26

> <JCHEM_POLARIZABILITY>
13.32

> <JCHEM_POLAR_SURFACE_AREA>
100.62

> <JCHEM_REFRACTIVITY>
31.29

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <ALOGPS_SOLUBILITY>
8.06e+01 g/l

$$$$