1796510
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     1  0  0  0  0  0999 V2000
   -0.0161    1.3381    0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -0.5939   -0.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3627   -1.1809   -1.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.7753    0.0102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9933   -2.2769   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128   -3.0520   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104   -0.4140   -1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -2.6247   -1.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609   -0.5240    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3919   -2.5220   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -2.5462    0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1052   -4.1208   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971   -2.8365    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360   -0.6528   -2.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    0.6520   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0475   -3.1644   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219   -2.8531   -2.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9311   -0.9484   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394    1.7888    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  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 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1796510

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
114

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAADQDBgAQACALAAgAIAACQCAAAAAAAAAAAAIEIAAAAABoAgAAEQAAGEACAAACYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-piperidine-3-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-3-piperidinecarboxylic acid

> <PUBCHEM_IUPAC_NAME>
(3R)-piperidine-3-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-piperidine-3-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-nipecotic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XJLSEXAGTJCILF-RXMQYKEDSA-N

> <PUBCHEM_XLOGP3>
-2.9

> <PUBCHEM_EXACT_MASS>
129.078979

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
129.15704

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CNC1)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H](CNC1)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
129.078979

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
4  9  6

$$$$