Mrv1652311091717012D          

  9  8  0  0  1  0            999 V2000
   25.1625  -14.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -15.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8757  -14.2627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7336  -14.2627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5902  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3046  -14.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4480  -13.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  6  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0003374

> <DATABASE_NAME>
bmdb

> <SMILES>
NCCC[C@@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1

> <INCHI_KEY>
AHLPHDHHMVZTML-SCSAIBSYSA-N

> <FORMULA>
C5H12N2O2

> <MOLECULAR_WEIGHT>
132.161

> <EXACT_MASS>
132.089877638

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
13.736745607390656

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,5-diaminopentanoic acid

> <ALOGPS_LOGP>
-3.64

> <JCHEM_LOGP>
-3.6582876081320586

> <ALOGPS_LOGS>
0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.666422703275891

> <JCHEM_PKA_STRONGEST_BASIC>
10.2868213384358

> <JCHEM_POLAR_SURFACE_AREA>
89.33999999999999

> <JCHEM_REFRACTIVITY>
33.2085

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-(-)-ornithine

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0003374

> <GENERIC_NAME>
D-Ornithine

> <SYNONYMS>
(2R)-2,5-diaminopentanoate; (2R)-2,5-diaminopentanoic acid; (R)-ornithine; ornithine

$$$$