Mrv0541 02241201222D          

 15 16  0  0  0  0            999 V2000
   13.8017   -8.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7991   -7.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901   -8.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3368   -8.1278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7805   -8.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1933   -9.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0012   -9.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5109   -8.4628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4335   -7.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8265   -6.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2622   -8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5972   -9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4043   -9.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8138   -8.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2174   -7.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  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
  8  1  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11  8  1  0  0  0  0
 11 14  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0011180

> <DATABASE_NAME>
bmdb

> <SMILES>
OC(=O)C1CCCN1C(=O)C1CCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)

> <INCHI_KEY>
RWCOTTLHDJWHRS-UHFFFAOYSA-N

> <FORMULA>
C10H16N2O3

> <MOLECULAR_WEIGHT>
212.2456

> <EXACT_MASS>
212.116092388

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.882719072075545

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.34

> <JCHEM_LOGP>
-2.833168522112887

> <ALOGPS_LOGS>
-0.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.697175985862474

> <JCHEM_PKA_STRONGEST_BASIC>
9.817472044231538

> <JCHEM_POLAR_SURFACE_AREA>
69.64

> <JCHEM_REFRACTIVITY>
53.0508

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.16e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0011180

> <GENERIC_NAME>
L-prolyl-L-proline

$$$$