
 CHEMBL543375

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.1933    1.6340   -1.7733 C   0  0  0  0  0
    2.4573    1.2210   -1.4095 O   0  0  0  0  0
    3.1058    1.6812   -0.3075 C   0  0  0  0  0
    2.5773    2.5103    0.4217 O   0  0  0  0  0
    4.4853    1.1635    0.0312 C   0  0  0  0  0
    5.5289    2.3006    0.0988 C   0  0  0  0  0
    5.8404    2.7606   -1.3156 C   0  0  0  0  0
    6.4728    1.5981   -2.0868 C   0  0  0  0  0
    5.7592    0.2791   -1.8585 C   0  0  0  0  0
    4.8707    0.1320   -0.9252 N   0  0  0  0  0
    6.1090   -0.8361   -2.6593 N   0  0  0  0  0
    2.4091   -1.9438   -2.6594 Cl  0  0  0  0  0
    0.8951    1.1129   -2.7061 H   0  0  0  0  0
    1.1854    2.7297   -1.9576 H   0  0  0  0  0
    0.4632    1.3810   -0.9746 H   0  0  0  0  0
    4.4273    0.7069    1.0426 H   0  0  0  0  0
    5.1513    3.1373    0.7256 H   0  0  0  0  0
    6.4694    1.9270    0.5618 H   0  0  0  0  0
    6.5322    3.6299   -1.3242 H   0  0  0  0  0
    4.8920    3.0728   -1.8057 H   0  0  0  0  0
    7.5276    1.4512   -1.7688 H   0  0  0  0  0
    6.4682    1.8668   -3.1649 H   0  0  0  0  0
    6.8248   -0.7451   -3.3947 H   0  0  0  0  0
    5.6510   -1.7473   -2.5126 H   0  0  0  0  0
    2.9658   -0.8509   -3.2826 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  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 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543375

>  <PubChem CID>
45261119

>  <Formula>
C7H13ClN2O2

>  <Molecular Weight>
192.643000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)C1CCCC(=N1)N.Cl

>  <Isomeric SMILES>
COC(=O)C1CCCC(=N1)N.Cl

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

>  <InChI Key>
ALPABZFPDUUGDR-UHFFFAOYSA-N

