3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid dihydrochlorideProduct ingredient for 3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid

Show full entry for 3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid
Name
3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid dihydrochloride
Drug Entry
3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid
Accession Number
DBSALT003397
Structure
Similar Structures
Synonyms
GOPPP DIHYDROCHLORIDE
UNII
BJM92K3NGH
CAS Number
1445774-05-9
Weight
Average: 483.35
Monoisotopic: 482.1236087
Chemical Formula
C20H24Cl2N6O4
InChI Key
MGVVVBJYSKDOKM-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N6O4.2ClH/c21-20(22)24-14-4-3-13-11-26(19(30)15(13)8-14)7-5-17(27)25-16(9-18(28)29)12-2-1-6-23-10-12;;/h1-4,6,8,10,16H,5,7,9,11H2,(H,25,27)(H,28,29)(H4,21,22,24);2*1H
IUPAC Name
3-[3-(6-carbamimidamido-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-(pyridin-3-yl)propanoic acid dihydrochloride
SMILES
Cl.Cl.NC(=N)NC1=CC2=C(CN(CCC(=O)NC(CC(O)=O)C3=CC=CN=C3)C2=O)C=C1
ChemSpider
68006990
Predicted Properties
PropertyValueSource
logP-2.2Chemaxon
pKa (Strongest Acidic)3.49Chemaxon
pKa (Strongest Basic)9.63Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area161.5 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity120.03 m3·mol-1Chemaxon
Polarizability42.38 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon