6234
 OpenBabel05082101102D

 13 13  0  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
    4.8665    0.5206    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
    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
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  1  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_MARKUP>
(4<I>R</I>)-4-amino-1,2-oxazolidin-3-one

>  <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>
102.09

>  <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>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
5  4  6

$$$$
