Cyclo(pro-pro)
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
Structure for Cyclo(pro-pro)
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
External Links
- PubChem
- 529063
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Coffee | Coffee and coffee products | Publications | Show |
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