(2S)-2-azaniumyl-4-(methylcarbamoyl)butanoate
  CDK    2/12/10,15:27

 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  2  7  2  0  0  0  0 
  2  8  1  0  0  0  0 
  3  6  2  0  0  0  0 
 10  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  9  1  1  0  0  0 
  5  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
 11  8  1  0  0  0  0 
M  CHG  1   9   1
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:58200

> <NAME>
N(5)-methyl-L-glutamine zwitterion

> <DEFINITION>
The amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of N5-methyl-L-glutamine; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N(5)-methyl-L-glutamine; (2S)-2-ammonio-5-(methylamino)-5-oxopentanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-5-(methylamino)-5-oxopentanoate

> <FORMULA>
C6H12N2O3

> <MASS>
160.17110

> <MONOISOTOPIC_MASS>
160.08479

> <CHARGE>
0

> <SMILES>
CNC(=O)CC[C@H]([NH3+])C([O-])=O

> <INCHI>
InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

> <INCHIKEY>
ONXPDKGXOOORHB-BYPYZUCNSA-N

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