6426709
  -OEChem-05302104272D

 24 24  0     1  0  0  0  0  0999 V2000
    4.7770   -1.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    0.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    1.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.7934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.1545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.2056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3090    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    0.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.4134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833    0.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722   -0.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -0.5362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    0.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6426709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
193

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACALAAgAIAAGQGAAAAAAAAAAAAIGIAAACQBIAgCAUAAAAFgCQAAAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]acetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[(2<I>S</I>)-pyrrolidine-2-carbonyl]amino]acetic acid

> <PUBCHEM_IUPAC_NAME>
2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[(2S)-prolyl]amino]acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RNKSNIBMTUYWSH-YFKPBYRVSA-N

> <PUBCHEM_XLOGP3_AA>
-3

> <PUBCHEM_EXACT_MASS>
172.08479225

> <PUBCHEM_MOLECULAR_FORMULA>
C7H12N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
172.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(NC1)C(=O)NCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H](NC1)C(=O)NCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
172.08479225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
6  10  5

$$$$
