Mrv1652304202019292D          

  9  9  0  0  1  0            999 V2000
   -1.0157    0.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5097   -0.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015   -0.1345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1228   -0.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471   -0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323   -0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5842    0.3241    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6162    1.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  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
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0002113

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1

> <INCHI_KEY>
BJBUEDPLEOHJGE-IUYQGCFVSA-N

> <FORMULA>
C5H9NO3

> <MOLECULAR_WEIGHT>
131.1299

> <EXACT_MASS>
131.058243159

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.26841822441352

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S)-3-hydroxypyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-3.18

> <JCHEM_LOGP>
-3.716320522797164

> <ALOGPS_LOGS>
0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.58501555709157

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6109755599539857

> <JCHEM_PKA_STRONGEST_BASIC>
10.616535665776542

> <JCHEM_POLAR_SURFACE_AREA>
69.56

> <JCHEM_REFRACTIVITY>
29.3822

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.31e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-L-proline

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0002113

> <GENERIC_NAME>
3-Hydroxy-L-proline

> <SYNONYMS>
Procollagen trans-3-hydroxy-L-proline

$$$$