Mrv1652304062013432D          

 20 20  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 N   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
   -3.0676   -1.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951   -1.3171    0.0000 C   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
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  1 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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0063897

> <DATABASE_NAME>
bmdb

> <SMILES>
NC(=N)NCCCC(NC(=O)C1CC(O)CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N5O4/c12-11(13)14-3-1-2-7(10(19)20)16-9(18)8-4-6(17)5-15-8/h6-8,15,17H,1-5H2,(H,16,18)(H,19,20)(H4,12,13,14)

> <INCHI_KEY>
AZDCVMCXGLWYHN-UHFFFAOYSA-N

> <FORMULA>
C11H21N5O4

> <MOLECULAR_WEIGHT>
287.3155

> <EXACT_MASS>
287.159354185

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.272014616259984

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-carbamimidamido-2-[(4-hydroxypyrrolidin-2-yl)formamido]pentanoic acid

> <ALOGPS_LOGP>
-3.30

> <JCHEM_LOGP>
-4.378228038581765

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.561152919370159

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.51619828704424

> <JCHEM_PKA_STRONGEST_BASIC>
12.05360420830799

> <JCHEM_POLAR_SURFACE_AREA>
160.55999999999997

> <JCHEM_REFRACTIVITY>
80.10539999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-carbamimidamido-2-[(4-hydroxypyrrolidin-2-yl)formamido]pentanoic acid

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0063897

> <GENERIC_NAME>
Hydroxyprolyl-Arginine

$$$$