54496095
  -OEChem-04252410292D

 22 22  0     1  0  0  0  0  0999 V2000
    6.0290    1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   -2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    1.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    0.7694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6377    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.7694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2558    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -1.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222   -0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112   -1.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    1.5136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111    2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3935    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  7  6  1  1  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54496095

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
230

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADKjBgAQACALAAgAIAACQCAAAAAAAAAAAAIGIAAACQBoAwCAUQAAGEACQAAC8NwAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>R</I>)-4-aminopyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_NAME>
(4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R)-4-azanylpyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R)-4-aminopyrrolidine-2,4-dicarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3?,6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XZFMJVJDSYRWDQ-PUOGSPQQSA-N

> <PUBCHEM_XLOGP3_AA>
-6.5

> <PUBCHEM_EXACT_MASS>
174.06405680

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
174.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(NCC1(C(=O)O)N)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(NC[C@]1(C(=O)O)N)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
174.06405680

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
7  6  5
9  12  3

$$$$