Mrv1652302241718312D          

 10  9  0  0  0  0            999 V2000
    0.5475   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775   -1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950    0.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400    0.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002211

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NC1(CCCC1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H11NO2.ClH/c7-6(5(8)9)3-1-2-4-6;/h1-4,7H2,(H,8,9);1H

> <INCHI_KEY>
ONNMHNDIUIHULO-UHFFFAOYSA-N

> <FORMULA>
C6H12ClNO2

> <MOLECULAR_WEIGHT>
165.62

> <EXACT_MASS>
165.0556563

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
13.22762251390246

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-aminocyclopentane-1-carboxylic acid hydrochloride

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-1.8270617506905722

> <ALOGPS_LOGS>
0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.476824999493866

> <JCHEM_PKA_STRONGEST_BASIC>
9.82535845481508

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
32.4564

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cycloleucine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002211

> <NAME>
Cycloleucine hydrochloride

> <DRUG_DRUGBANK_ID>
DB04620

> <DRUG_NAME>
Cycloleucine

> <CAS_NUMBER>
92398-48-6

> <UNII>
Z72HVF4L7V

$$$$