1366
  -OEChem-03311014122D

 23 23  0     0  0  0  0  0  0999 V2000
    4.8487    0.9406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826    0.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4826   -1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147   -1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8487    0.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    0.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.5331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -0.5331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4267    0.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -1.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706   -2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4267   -2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -1.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -2.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472   -2.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6903    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1587    1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1366

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
139

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgAQCAAADIiBgAAACABAAgAIAACQCAAAAAAAAAAAAAGAAAACABIAgAAAQAAEEAAAAAGYyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-aminocyclohexanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-aminocyclohexanecarboxylic acid

> <PUBCHEM_IUPAC_NAME>
1-aminocyclohexane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-azanylcyclohexane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-aminocyclohexanecarboxylic acid

> <PUBCHEM_NIST_INCHI>
InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)

> <PUBCHEM_NIST_INCHIKEY>
WOXWUZCRWJWTRT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-1.9

> <PUBCHEM_EXACT_MASS>
143.094629

> <PUBCHEM_MOLECULAR_FORMULA>
C7H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
143.18362

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
143.094629

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$