10255
  -OEChem-05062408412D

 30 30  0     1  0  0  0  0  0999 V2000
    6.0503   -2.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -0.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882    2.0117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    2.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.7374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -0.1985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5823   -0.1985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8913   -1.1496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2733   -1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2746    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947   -0.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -1.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    0.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913    0.8327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.1226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    1.9694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.8572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530    2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  6  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  6  0  0  0
  7 17  1  0  0  0  0
  8 12  1  1  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10255

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQCCALAAgCIAgDSCAAAAAAgAAAAAIGIAAgCABIAgSAEQAAEkACQAAG8fwIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-2-pyrrolidinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>S</I>,4<I>S</I>)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S,4S)-3-(2-hydroxy-2-oxoethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VLSMHEGGTFMBBZ-OOZYFLPDSA-N

> <PUBCHEM_XLOGP3_AA>
-1.8

> <PUBCHEM_EXACT_MASS>
213.10010796

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
213.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C1CNC(C1CC(=O)O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
86.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
213.10010796

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
6  10  6
7  11  6
8  12  5

$$$$