Mrv0541 02231220332D          

  9  9  0  0  1  0            999 V2000
   19.0002   -5.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0375   -4.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4790   -2.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1027   -3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6901   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4352   -3.9848    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5151   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7701   -3.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6506   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  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>
M2MDB006205

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC1CN[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-/m0/s1

> <INCHI_KEY>
PMMYEEVYMWASQN-BKLSDQPFSA-N

> <FORMULA>
C5H9NO3

> <MOLECULAR_WEIGHT>
131.1299

> <EXACT_MASS>
131.058243159

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.324749061523729

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-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>
4 hydroxyproline

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB24088

> <GENERIC_NAME>
4-Hydroxy-L-proline

$$$$