6151
  -OEChem-05062409122D

 36 35  0     1  0  0  0  0  0999 V2000
    3.9641    0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    1.3380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1060    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9641    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    0.6840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272   -1.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741   -1.7970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -0.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -0.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541    0.8011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 16  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6151

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
237

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADwCggAICCABABAAIAAAAGAAAAAAAAAAAAAAAAAEAAAIAAAAIAAAFAAAAAACAAAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-(carbamoyloxymethyl)-2,3-dimethyl-pentyl] carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
carbamic acid [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

> <PUBCHEM_IUPAC_NAME>
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-(aminocarbonyloxymethyl)-2,3-dimethyl-pentyl] carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamic acid [2-(carbamoyloxymethyl)-2,3-dimethyl-pentyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)

> <PUBCHEM_IUPAC_INCHIKEY>
LEROTMJVBFSIMP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
232.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C10H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
232.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)C(C)(COC(=O)N)COC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)C(C)(COC(=O)N)COC(=O)N

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.14230712

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  3

$$$$