
 AC1ODZEZ

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.2878    0.0227   -1.1473 C   0  0  0  0  0
   -0.4328    0.7382   -0.2824 C   0  0  0  0  0
   -1.3195   -0.0036    0.4971 O   0  0  0  0  0
   -1.1747   -1.3103   -0.0217 N   0  0  0  0  0
   -0.1291   -1.3517   -0.9073 C   0  0  0  0  0
    0.3770   -2.3420   -1.3983 O   0  0  0  0  0
   -0.4380    2.2172   -0.0403 C   0  0  0  0  0
    0.4850    2.9966   -1.0251 C   0  0  0  0  0
    1.7210    2.8863   -0.8820 O   0  0  0  0  0
   -0.2338    3.6928   -1.8194 O   0  0  0  0  0
   -1.8471    2.7758   -0.1877 N   0  0  0  0  0
   -1.7666    3.2459   -1.1242 H   0  0  0  0  0
   -2.5782    2.0675   -0.2143 H   0  0  0  0  0
   -2.0198    3.5343    0.4714 H   0  0  0  0  0
    1.0496    0.3240   -1.8449 H   0  0  0  0  0
   -1.3989   -2.1120    0.5525 H   0  0  0  0  0
   -0.1409    2.4331    0.9915 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 11 14  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
M  CHG  2  10  -1  11   1
M  END

>  <Chemical Name>
AC1ODZEZ

>  <PubChem CID>
6971208

>  <Formula>
C5H6N2O4

>  <Molecular Weight>
158.113000

>  <IUPAC Name>
(2S)-2-azaniumyl-2-(3-oxo-1,2-oxazol-5-yl)acetate

>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=C(ONC1=O)C(C(=O)[O-])[NH3+]

>  <Isomeric SMILES>
C1=C(ONC1=O)[C@@H](C(=O)[O-])[NH3+]

>  <InChI Std. ID>
InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1

>  <InChI Key>
IRJCBFDCFXCWGO-BYPYZUCNSA-N

