51657808
  -OEChem-05052411282D

 21 21  0     1  0  0  0  0  0999 V2000
    4.1372    1.8691    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8692    1.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2218    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -1.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -1.1697    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9543    0.6781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    0.3691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0032    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.5819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3122   -0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    0.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    0.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -1.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6222   -1.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786   -0.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -1.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676   -1.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150    0.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0832    1.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  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
  5 19  1  0  0  0  0
  7  6  1  1  0  0  0
  6 20  1  0  0  0  0
  6 21  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  1  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  CHG  3   1  -1   3  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
51657808

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
219

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADKjBgAQACALAAAAIAACQCAAAAAAAAAAAAIGIAAACQBoAwCAUAAAGEACQAAC8NwAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,4R)-4-aminopyrrolidin-1-ium-2,4-dicarboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,4R)-4-aminopyrrolidin-1-ium-2,4-dicarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,4<I>R</I>)-4-aminopyrrolidin-1-ium-2,4-dicarboxylate

> <PUBCHEM_IUPAC_NAME>
(2R,4R)-4-aminopyrrolidin-1-ium-2,4-dicarboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,4R)-4-azanylpyrrolidin-1-ium-2,4-dicarboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,4R)-4-aminopyrrolidin-1-ium-2,4-dicarboxylate

> <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)/p-1/t3-,6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XZFMJVJDSYRWDQ-AWFVSMACSA-M

> <PUBCHEM_XLOGP3_AA>
-5.2

> <PUBCHEM_EXACT_MASS>
173.05623177

> <PUBCHEM_MOLECULAR_FORMULA>
C6H9N2O4-

> <PUBCHEM_MOLECULAR_WEIGHT>
173.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C([NH2+]CC1(C(=O)[O-])N)C(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([NH2+]C[C@]1(C(=O)[O-])N)C(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
173.05623177

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
7  6  5
9  12  5

$$$$