Mrv0541 02231219072D          

 14 13  0  0  1  0            999 V2000
   -0.8131    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -0.4008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8131    0.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -1.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572   -0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    0.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496    0.0113    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0782   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  1  11   1
M  END
> <DATABASE_ID>
BMDB0001422

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1

> <INCHI_KEY>
ZRJHLGYVUCPZNH-MQWKRIRWSA-O

> <FORMULA>
C9H21N2O3

> <MOLECULAR_WEIGHT>
205.2746

> <EXACT_MASS>
205.155217548

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
22.745145258107645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-7.073700593566166

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.620782668814698

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.198677349941611

> <JCHEM_PKA_STRONGEST_BASIC>
8.993901427845726

> <JCHEM_POLAR_SURFACE_AREA>
83.55000000000001

> <JCHEM_REFRACTIVITY>
65.1539

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0001422

> <GENERIC_NAME>
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine

> <SYNONYMS>
3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine; 3-hydroxy-N(6),N(6),N(6)-trimethyllysine; 3-hydroxy-N6,N6,N6-trimethyl-L-lysin-N6-ium; 3-hydroxy-N6,N6,N6-trimethyl-L-lysine

$$$$