Mrv1652305271900002D          

  8  7  0  0  0  0            999 V2000
   23.2152  -11.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9297  -12.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5021  -11.1336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7877  -11.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0731  -11.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3587  -11.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6442  -11.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9297  -11.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB023151

> <DATABASE_NAME>
foodb

> <SMILES>
NCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)

> <INCHI_KEY>
JJMDCOVWQOJGCB-UHFFFAOYSA-N

> <FORMULA>
C5H11NO2

> <MOLECULAR_WEIGHT>
117.1463

> <EXACT_MASS>
117.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
12.65225454504008

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-aminopentanoic acid

> <ALOGPS_LOGP>
-2.75

> <JCHEM_LOGP>
-2.441462136430473

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.6510543313288055

> <JCHEM_PKA_STRONGEST_BASIC>
10.205972024771656

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
30.058799999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-aminovaleric acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023151

> <GENERIC_NAME>
5-Aminopentanoic acid

$$$$