4626
  -OEChem-05191304222D

 21 21  0     1  0  0  0  0  0999 V2000
    4.8479   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.0521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.5521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.4867    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724   -1.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -0.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.0013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -1.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -2.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    1.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  2  0  0  0  0
  3 11  2  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 11  1  0  0  0  0
  5 20  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 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4626

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
192

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACBThgAYAAANAAgAIAAEQEAAAAAAAAAAAAAGIAAACUBQAgCAUQAACNgCQAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxy-2-oxo-pyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxy-2-oxo-1-pyrrolidinyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxy-2-keto-pyrrolidino)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)

> <PUBCHEM_IUPAC_INCHIKEY>
IHLAQQPQKRMGSS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.2

> <PUBCHEM_EXACT_MASS>
158.069142

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
158.1552

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CN(C1=O)CC(=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CN(C1=O)CC(=O)N)O

> <PUBCHEM_CACTVS_TPSA>
83.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
158.069142

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
6  1  3

$$$$