9815560
  -OEChem-04242412182D

 33 34  0     1  0  0  0  0  0999 V2000
    4.9483    2.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1307    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6750    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4081    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184   -0.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850   -0.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470   -0.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846    1.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128    2.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 33  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9815560

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
211

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQACALAAgAIAACQCAAAAAAAAAAAAIGIAAACABIAgCAEQAAEEACQAAGY2fCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-cyclohexylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
4-cyclohexyl-2-pyrrolidinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-cyclohexylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
4-cyclohexylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-cyclohexylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-cyclohexylproline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
XRZWVSXEDRYQGC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
197.141578849

> <PUBCHEM_MOLECULAR_FORMULA>
C11H19NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
197.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C2CC(NC2)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C2CC(NC2)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.141578849

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  3
5  4  3

$$$$