Mrv1652305271900102D          

 11 10  0  0  0  0            999 V2000
    7.2060   -6.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4746   -7.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -5.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9202   -7.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6516   -6.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5139   -6.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882   -7.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3715   -7.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0683   -6.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2337   -7.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9227   -7.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  8  5  1  0  0  0  0
  7  6  1  0  0  0  0
 10  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022354

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

> <INCHI_KEY>
AKVBCGQVQXPRLD-UHFFFAOYSA-N

> <FORMULA>
C8H17NO2

> <MOLECULAR_WEIGHT>
159.2261

> <EXACT_MASS>
159.125928793

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
18.721741628961148

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-aminooctanoic acid

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-0.5391839429130717

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.892611999903507

> <JCHEM_PKA_STRONGEST_BASIC>
9.526561628291406

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
43.42529999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+-)-2-aminooctanoic acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022354

> <GENERIC_NAME>
DL-2-Aminooctanoic acid

$$$$