11768666
  -OEChem-05052415172D

 21 21  0     1  0  0  0  0  0999 V2000
    6.3660    1.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.2806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.4515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.4145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -1.0503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    0.6311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    0.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -1.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486   -0.6635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460    0.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6760    1.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2 10  2  0  0  0  0
  8  3  1  6  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11768666

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
176

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAAAAAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQACABAAgCIAgDSCAAAAAAgAAAAAIGAAAgCABIAgQAAQAAEkAAAAAGYSAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-2-amino-3-[(1<I>R</I>)-2-methylidenecyclopropyl]propanoic acid

> <PUBCHEM_IUPAC_NAME>
(2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-azanyl-3-[(1R)-2-methylidenecyclopropyl]propanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-amino-3-[(1R)-2-methylenecyclopropyl]propionic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OOJZCXFXPZGUBJ-RITPCOANSA-N

> <PUBCHEM_XLOGP3_AA>
-2.5

> <PUBCHEM_EXACT_MASS>
141.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C7H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
141.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C1CC1CC(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C1C[C@@H]1C[C@@H](C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
141.078978594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
8  3  6
4  7  6

$$$$