
 158930-48-4

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.7841   -0.2356   -0.4947 C   0  0  0  0  0
    3.0982   -0.0494    0.0328 O   0  0  0  0  0
    3.6999    1.1112   -0.3528 C   0  0  0  0  0
    3.1665    1.9717   -1.0430 O   0  0  0  0  0
    5.0788    1.2314    0.2749 C   0  0  0  0  0
    5.7963    2.5202   -0.1122 C   0  0  0  0  0
    6.2031    2.5124   -1.5742 C   0  0  0  0  0
    6.6621    1.1564   -2.0618 C   0  0  0  0  0
    6.5309    0.0552   -1.4082 N   0  0  0  0  0
    5.9729    0.0444   -0.0552 C   0  0  0  0  0
    7.2132    1.0961   -3.3087 N   0  0  0  0  0
    1.7730   -0.1068   -1.5819 H   0  0  0  0  0
    1.0870    0.4576   -0.0144 H   0  0  0  0  0
    1.4704   -1.2584   -0.2679 H   0  0  0  0  0
    4.9045    1.2574    1.3590 H   0  0  0  0  0
    6.6971    2.6236    0.5068 H   0  0  0  0  0
    5.1729    3.3983    0.0937 H   0  0  0  0  0
    7.0016    3.2434   -1.7452 H   0  0  0  0  0
    5.3590    2.8149   -2.2052 H   0  0  0  0  0
    5.4336   -0.8995    0.0791 H   0  0  0  0  0
    6.8121    0.0156    0.6512 H   0  0  0  0  0
    6.8989    1.7811   -3.9850 H   0  0  0  0  0
    7.2513    0.1484   -3.6693 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
M  END

>  <Chemical Name>
158930-48-4

>  <PubChem CID>
10012139

>  <Formula>
C7H12N2O2

>  <Molecular Weight>
156.185000

>  <IUPAC Name>
methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate

>  <XlogP>
-1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)C1CCC(=NC1)N

>  <Isomeric SMILES>
COC(=O)C1CCC(=NC1)N

>  <InChI Std. ID>
InChI=1S/C7H12N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)

>  <InChI Key>
NDYOGNUJWRYXIH-UHFFFAOYSA-N

