6234
  -OEChem-10101305032D

 13 13  0     1  0  0  0  0  0999 V2000
    4.5691    0.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.3917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2601   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477   -0.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -1.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -0.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245   -1.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557   -1.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  5  4  1  1  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
92.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAUAAAACCjhgAYAAABQAAAIAAEQEAAAAAAAAAAgAIGAAAACQAQAAAAAAAACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R)-4-aminoisoxazolidin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(4R)-4-amino-3-isoxazolidinone

> <PUBCHEM_IUPAC_NAME>
(4R)-4-amino-1,2-oxazolidin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R)-4-azanyl-1,2-oxazolidin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R)-4-aminoisoxazolidin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DYDCUQKUCUHJBH-UWTATZPHSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
102.042927

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
102.09194

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(=O)NO1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H](C(=O)NO1)N

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.042927

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  4  5

$$$$