535
  -OEChem-05132402512D

 14 14  0     0  0  0  0  0  0999 V2000
    4.3660   -0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -0.9181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    1.0306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760   -1.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
535

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
106

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADIiBgAAACABAAgAIAACQCAAAAAAAAAAAAAGAAAACABAAAAAAQAAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-aminocyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-amino-1-cyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-aminocyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
1-aminocyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-azanylcyclopropane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-aminocyclopropanecarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
PAJPWUMXBYXFCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-2.8

> <PUBCHEM_EXACT_MASS>
101.047678466

> <PUBCHEM_MOLECULAR_FORMULA>
C4H7NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
101.10

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
101.047678466

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$