ChEBI
  Mrv1652302102020392D          

  8  7  0  0  1  0            999 V2000
    6.4363   -3.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7187   -3.6222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0009   -3.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536   -3.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1421   -3.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7187   -4.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  2  8  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00822

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1

> <INCHI_KEY>
SNDPXSYFESPGGJ-SCSAIBSYSA-N

> <FORMULA>
C5H11NO2

> <MOLECULAR_WEIGHT>
117.1463

> <EXACT_MASS>
117.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
12.50887298672354

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-aminopentanoic acid

> <ALOGPS_LOGP>
-2.04

> <JCHEM_LOGP>
-1.8733752172778175

> <ALOGPS_LOGS>
0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7136746618065293

> <JCHEM_PKA_STRONGEST_BASIC>
9.526860379684688

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
29.6223

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-(-)-norvaline

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00822

> <GENERIC_NAME>
D-2-aminopentanoic acid

> <SYNONYMS>
(R)-norvaline; D-2-Aminopentanoic acid; D-2-Aminovaleric acid; D-Ape; D-Norvaline; D-Nva

$$$$