Mrv1652303202019002D          

 10  9  0  0  0  0            999 V2000
 9996.8368 9997.7078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.5515 9998.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2654 9997.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9809 9998.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6963 9997.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.4097 9998.1199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1221 9998.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4074 9997.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1221 9998.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8368 9996.8826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB023163

> <DATABASE_NAME>
foodb

> <SMILES>
NCCCC[C@@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1

> <INCHI_KEY>
KDXKERNSBIXSRK-RXMQYKEDSA-N

> <FORMULA>
C6H14N2O2

> <MOLECULAR_WEIGHT>
146.19

> <EXACT_MASS>
146.105527699

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
15.90981981318644

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,6-diaminohexanoic acid

> <ALOGPS_LOGP>
-3.76

> <JCHEM_LOGP>
-3.2145347205442243

> <ALOGPS_LOGS>
-0.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7382862451336982

> <JCHEM_PKA_STRONGEST_BASIC>
10.28806162304154

> <JCHEM_POLAR_SURFACE_AREA>
89.34

> <JCHEM_REFRACTIVITY>
37.8095

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-lysine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023163

> <GENERIC_NAME>
D-Lysine

$$$$