Mrv1652304062014072D          

 19 19  0  0  0  0            999 V2000
    0.4875   -1.6527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269   -0.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -2.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346   -2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -1.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951   -1.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599   -1.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888   -1.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744   -2.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  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
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0064035

> <DATABASE_NAME>
bmdb

> <SMILES>
NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)

> <INCHI_KEY>
HMNSRTLZAJHSIK-UHFFFAOYSA-N

> <FORMULA>
C11H21N5O3

> <MOLECULAR_WEIGHT>
271.3161

> <EXACT_MASS>
271.164439563

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.564110394806683

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-carbamimidamido-2-[(pyrrolidin-2-yl)formamido]pentanoic acid

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-3.2503184356545587

> <ALOGPS_LOGS>
-2.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.714912825696477

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6441435238087783

> <JCHEM_PKA_STRONGEST_BASIC>
12.058872920903926

> <JCHEM_POLAR_SURFACE_AREA>
140.33

> <JCHEM_REFRACTIVITY>
78.78749999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-carbamimidamido-2-(pyrrolidin-2-ylformamido)pentanoic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0064035

> <GENERIC_NAME>
Prolyl-Arginine

$$$$