Ketcher 03191910442D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
    5.4639   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8659    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  2  6  2  0     0  0
  3  4  1  0     0  0
  3  7  1  0     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
M  END
> <ID>
CHEBI:143269

> <NAME>
N-methylalanine

> <STAR>
2

> <SYNONYM>
N-methyl-DL-alanine

> <FORMULA>
C4H9NO2

> <MASS>
103.121

> <MONOISOTOPIC_MASS>
103.06333

> <CHARGE>
0

> <SMILES>
OC(=O)C(NC)C

> <INCHI>
InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)

> <INCHIKEY>
GDFAOVXKHJXLEI-UHFFFAOYSA-N

$$$$