Mrv1652309142020202D          

  8  8  0  0  0  0            999 V2000
    0.6685    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -0.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6685    1.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7162    0.2642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -0.2207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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  5  2  0  0  0  0
  4  8  1  0  0  0  0
  8  1  1  6  0  0  0
M  END
> <DATABASE_ID>
M2MDB003496

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC(=O)[C@@H]1CCC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1

> <INCHI_KEY>
DWAKNKKXGALPNW-BYPYZUCNSA-N

> <FORMULA>
C5H7NO2

> <MOLECULAR_WEIGHT>
113.1146

> <EXACT_MASS>
113.047678473

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
10.721633827168107

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-2.279439073313947

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8219556318598356

> <JCHEM_PKA_STRONGEST_BASIC>
6.073045352102196

> <JCHEM_POLAR_SURFACE_AREA>
49.66

> <JCHEM_REFRACTIVITY>
27.397299999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.31e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-1-pyrroline-5-carboxylate

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB23106

> <GENERIC_NAME>
(S)-1-pyrroline-5-carboxylate

$$$$