Mrv1652305261923592D          

  9  9  0  0  0  0            999 V2000
10000.792710000.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.506910000.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.792710001.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4930 9998.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.405510000.6148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.738110000.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9930 9999.3452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.8179 9999.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.072810000.1298    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  4  1  1  0  0  0
  9  1  1  6  0  0  0
M  END
> <DATABASE_ID>
YMDB00723

> <DATABASE_NAME>
YMDB

> <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_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.291927113198778

> <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>
1.6413819507648508

> <JCHEM_PKA_STRONGEST_BASIC>
10.617096890348789

> <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

> <YMDB_ID>
YMDB00723

> <GENERIC_NAME>
trans-4-hydroxy-L-proline

> <SYNONYMS>
.delta.-Hydroxyproline; (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid; (2S,4R)-trans-4-hydroxyproline; (4R)-4-hydroxy-L-proline; 4-Hydroxy-2-pyrrolidinecarboxylic acid; 4-Hydroxy-L-proline; 4-Hydroxyproline; 4-L-Hydroxyproline; delta-hydroxyproline; hydroxiproline; Hydroxy-l-proline; hydroxy-proline; Hydroxyproline; Hydroxyproline (VAN); Hydroxyproline,(l); Hyp; Hypro; L-4-Hydroxyproline; L-hydroxyproline; L-Proline, 4-hydroxy-, trans-; L-threo-4-hydroxyproline; LS-hydroxyproline; Oxaceprol; Proline, 4-hydroxy-; Proline, 4-hydroxy-, L-; trans-4-hydroxy-L-proline; trans-4-Hydroxyproline; Trans-hydroxyproline; Trans-l-hydroxyproline

$$$$