Mrv1652309272007402D          

  9  9  0  0  1  0            999 V2000
   -3.3031    0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0176    0.4580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3031    1.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887    0.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321   -0.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4466   -0.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4466    0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0176   -0.3670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  5  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2  1  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0000716

> <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-/m0/s1

> <INCHI_KEY>
HXEACLLIILLPRG-YFKPBYRVSA-N

> <FORMULA>
C6H11NO2

> <MOLECULAR_WEIGHT>
129.157

> <EXACT_MASS>
129.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.489921399346262

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-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>
2.063103444066459

> <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>
L-pipecolic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0000716

> <GENERIC_NAME>
L-Pipecolic acid

> <SYNONYMS>
(-)-Pipecolate; (-)-Pipecolic acid; (S)-(-)-2-Piperidinecarboxylate; (S)-(-)-2-Piperidinecarboxylic acid; (S)-(-)-Pipecolate; (S)-(-)-Pipecolic acid; (S)-2-Piperidinecarboxylate; (S)-2-Piperidinecarboxylic acid; (S)-Pipecolate; (S)-Pipecolic acid; (S)-Pipecolinate; (S)-Pipecolinic acid; (S)-Piperidine-2-carboxylate; (S)-Piperidine-2-carboxylic acid; L-(-)-Pipecolate; L-(-)-Pipecolic acid; L-Homoproline; L-Pipecolate; L-Pipecolic acid; L-Pipecolinate; L-Pipecolinic acid; L-Piperidine-2-carboxylate; L-Piperidine-2-carboxylic acid

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