precursor

Showing entry for Cyclo(pro-pro)

Identification

PhytoHub ID
PHUB002526
Name
Cyclo(pro-pro)
Systematic Name
1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
Synonyms
  • cyclo-(prolyl-prolyl)
  • Octahydro-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,
  • octahydro-dipyrrolo(1,2-a-1',2'-d)pyrazine-5,10-dione
  • Prolinanhydrid
  • proline diketopiperazine
  • Prolylproline anhydride
CAS Number
6708-06-1
Average Mass
194.234
Monoisotopic Mass
194.105527699
Chemical Formula
C10H14N2O2
IUPAC Name
1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione
InChI Key
BKASXWPLSXFART-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2
SMILES
O=C1C2CCCN2C(=O)C2CCCN12
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
40.620000000000005
Refractivity
49.97300000000001
Polarizability
20.161567895925543
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.639356249779403
pKa (strongest acidic)
19.602194775585776
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Miscellaneous N-containing compounds
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
CoffeeCoffee and coffee products PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

Back