Mrv1652304062013452D          

 16 17  0  0  0  0            999 V2000
    0.7324   -0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -0.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965   -0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854   -1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -1.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341   -1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056   -0.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -3.0749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7147   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872   -2.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -2.0829    0.0000 C   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
  2  4  1  0  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  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0063908

> <DATABASE_NAME>
bmdb

> <SMILES>
OC1CNC(C1)C(=O)N1CCCC1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O4/c13-6-4-7(11-5-6)9(14)12-3-1-2-8(12)10(15)16/h6-8,11,13H,1-5H2,(H,15,16)

> <INCHI_KEY>
GIOMWAZJQDYWEU-UHFFFAOYSA-N

> <FORMULA>
C10H16N2O4

> <MOLECULAR_WEIGHT>
228.245

> <EXACT_MASS>
228.11100701

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
22.08807195105728

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-3.981392719715238

> <ALOGPS_LOGS>
-0.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.826189272995407

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5399558382577627

> <JCHEM_PKA_STRONGEST_BASIC>
9.140451260189643

> <JCHEM_POLAR_SURFACE_AREA>
89.87

> <JCHEM_REFRACTIVITY>
54.3687

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.03e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0063908

> <GENERIC_NAME>
Hydroxyprolyl-Proline

$$$$