216240
  -OEChem-10101305022D

 21 21  0     1  0  0  0  0  0999 V2000
    5.0868    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.1139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.4739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0298   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -1.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962   -0.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398    0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144   -1.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -2.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    0.4416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564   -2.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9252   -2.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  6  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  6  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
216240

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
176

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQACABAAgCIAgDSCAAAAAAgAAAAAIEAAAgAABoAgQAAQAAGkAAAAAGYSAAOAAAAAAAAAAAAAAAAAAAAAAAAAQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S)-2-amino-4-methylene-cyclopentanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S)-2-amino-4-methylene-1-cyclopentanecarboxylic acid

> <PUBCHEM_IUPAC_NAME>
(1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S)-2-azanyl-4-methylidene-cyclopentane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S)-2-amino-4-methylene-cyclopentanecarboxylic acid

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

> <PUBCHEM_IUPAC_INCHIKEY>
RKOUGZGFAYMUIO-RITPCOANSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
141.078979

> <PUBCHEM_MOLECULAR_FORMULA>
C7H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
141.16774

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C1CC(C(C1)N)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C1C[C@H]([C@H](C1)N)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
141.078979

> <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>
5  3  6
4  9  6

$$$$