Mrv0541 03061514512D          

 11 11  0  0  0  0            999 V2000
    2.9813    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    1.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6693    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    2.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -0.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012   -0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8636   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3598    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:70830

> <NAME>
methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate

> <DEFINITION>
The methyl ester of 5-(hydroxymethyl)pyrrolidine-3-carboxylic acid.

> <STAR>
3

> <IUPAC_NAME>
methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate

> <FORMULA>
C7H13NO3

> <MASS>
159.18300

> <MONOISOTOPIC_MASS>
159.08954

> <CHARGE>
0

> <SMILES>
COC(=O)C1CNC(CO)C1

> <INCHI>
InChI=1S/C7H13NO3/c1-11-7(10)5-2-6(4-9)8-3-5/h5-6,8-9H,2-4H2,1H3

> <INCHIKEY>
BSILTUUPJBINLI-UHFFFAOYSA-N

> <PUBMED_CITATION>
22770225

$$$$