Mrv0541 02241223342D          

  9  9  0  0  0  0            999 V2000
    0.8248   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822    0.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248    0.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372    0.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248   -0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202   -0.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB005268

> <DATABASE_NAME>
foodb

> <SMILES>
NC1(CCNC1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)

> <INCHI_KEY>
DWAKXSZUASEUHH-UHFFFAOYSA-N

> <FORMULA>
C5H10N2O2

> <MOLECULAR_WEIGHT>
130.1451

> <EXACT_MASS>
130.074227574

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.434187022514184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-aminopyrrolidine-3-carboxylic acid

> <ALOGPS_LOGP>
-3.19

> <JCHEM_LOGP>
-3.8119275102690455

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6936267640893865

> <JCHEM_PKA_STRONGEST_BASIC>
10.675745589337184

> <JCHEM_POLAR_SURFACE_AREA>
75.35

> <JCHEM_REFRACTIVITY>
31.334200000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.62e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-aminopyrrolidine-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB005268

> <GENERIC_NAME>
Cucurbitin

$$$$