
  Mrv0541 02231218422D          

  9  9  0  0  1  0            999 V2000
   25.8832  -14.1738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9206  -13.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3621  -11.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9857  -12.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5732  -13.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3183  -12.7217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.3982  -13.5063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.6532  -12.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5337  -12.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  1  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000179

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1

> <INCHI_KEY>
PMMYEEVYMWASQN-DMTCNVIQSA-N

> <FORMULA>
C5H9NO3

> <MOLECULAR_WEIGHT>
131.1299

> <EXACT_MASS>
131.058243159

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.291927112580467

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-3.31

> <JCHEM_LOGP>
-3.7163188466782064

> <ALOGPS_LOGS>
0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.856641323999913

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6413819507648544

> <JCHEM_PKA_STRONGEST_BASIC>
10.617096890348787

> <JCHEM_POLAR_SURFACE_AREA>
69.56

> <JCHEM_REFRACTIVITY>
29.3822

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hypro

> <JCHEM_VEBER_RULE>
0

$$$$
