Mrv0541 02231220312D          

  9  9  0  0  1  0            999 V2000
   16.0779   -4.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7924   -5.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2214   -4.9778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5069   -3.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5069   -4.5653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2214   -3.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9359   -3.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9359   -4.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7924   -4.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0005960

> <DATABASE_NAME>
bmdb

> <SMILES>
OC(=O)[C@H]1CCCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

> <INCHI_KEY>
HXEACLLIILLPRG-RXMQYKEDSA-N

> <FORMULA>
C6H11NO2

> <MOLECULAR_WEIGHT>
129.157

> <EXACT_MASS>
129.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
13.474461965926004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-piperidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.17

> <JCHEM_LOGP>
-2.1239620485400845

> <ALOGPS_LOGS>
0.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.063103444066461

> <JCHEM_PKA_STRONGEST_BASIC>
10.388033490366288

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
32.6653

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-pipecolic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005960

> <GENERIC_NAME>
D-Pipecolic acid

> <SYNONYMS>
(+)-Pipecolic acid; (+)-Pipecolinic acid; (2R)-2-Piperidinecarboxylic acid; (2R)-piperidine-2-carboxylic acid; (R)-()-2-Piperidinecarboxylic acid; (R)-(+)-Pipecolic acid; (R)-2-Piperidinecarboxylic acid; (R)-Pipecolic acid; (R)-Pipecolinic acid; (R)-Piperidine-2-carboxylic acid; 6-Carboxypiperidine; D-(+)- Pipecolic acid; D-(+)-Pipecolic acid; D-Homoproline; D-Pipecolic acid; D-Pipecolinic acid; D-Piperidine-2-carboxylic acid

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