cyclo(pro-prolyl)
precursor
Showing entry for cyclo(pro-prolyl)
Identification
- PhytoHub ID
- PHUB002380
- Name
- cyclo(pro-prolyl)
- Systematic Name
- 1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
- Synonyms
- cyclo(Pro,Pro)
- cyclo(prolylprolyl)
- octahydro-dipyrrolo(1,2-a-1',2'-d)pyrazine-5,10-dione
- Prolinanhydrid
- proline diketopiperazine
- CAS Number
- Not Available
- 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-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/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
Calculated Properties
- Solubility (ALOGPS)
- 4.82e+02 g/l
- LogS (ALOGPS)
- 0.39
- LogP (ALOGPS)
- -0.20
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 40.620000000000005
- Refractivity
- 49.973000000000006
- Polarizability
- 20.126735313135228
- 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 Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
No food source information available
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