Mrv1652305062021432D          

  7  7  0  0  1  0            999 V2000
    1.4522    2.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    3.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    3.3322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0396    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7847    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0109712

> <DATABASE_NAME>
bmdb

> <SMILES>
N[C@H]1COC(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C4H7NO2/c5-3-1-4(6)7-2-3/h3H,1-2,5H2/t3-/m1/s1

> <INCHI_KEY>
IFDRUMHFSJJIGX-GSVOUGTGSA-N

> <FORMULA>
C4H7NO2

> <MOLECULAR_WEIGHT>
101.105

> <EXACT_MASS>
101.047678469

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
9.581749907964337

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-4-aminooxolan-2-one

> <ALOGPS_LOGP>
-1.67

> <JCHEM_LOGP>
-0.8763266380000001

> <ALOGPS_LOGS>
0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.580445878891961

> <JCHEM_POLAR_SURFACE_AREA>
52.32

> <JCHEM_REFRACTIVITY>
23.173099999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R)-4-aminooxolan-2-one

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0109712

> <GENERIC_NAME>
(R)-3-Amino-gamma-butyrolactone

$$$$