Cyclo(prolylprolyl)
Basic information
- CAS
19943-27-2- Standard SMILES
O=C1[C@@H]2CCCN2C(=O)[C@@H]2CCCN12- InChIKey
BKASXWPLSXFART-YUMQZZPRSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Overview
(3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has been reported in Aspergillus fumigatus with data available.
Names & identifiers
- Preferred name
- Cyclo(prolylprolyl)
- IUPAC
- (3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
- English name
- cis-cyclo(Pro-Pro)
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
Cyclo(prolylprolyl)cyclo(Pro,Pro)proline diketopiperazineRefChem:919359octahydro-dipyrrolo(1,2-a-1',2'-d)pyrazine-5,10-dione19943-27-2Cyclo(L-Pro-L-Pro)Cyclo(prolylproline)(3S,9S)-1,7-Diazatricyclo[7.3.0.03,7]dodecane-2,8-dioneVildagliptin Impurity 5Cyclo-(L-Pro-L-Pro)Cyclo(L-prolyl-L-prolyl)
Show more names
Cyclo(Pro-Pro) (Bulk)Vildagliptin Impurity 41cyclo(Pro-Pro)、cis-cyclo(Pro-Pro)L-Proline cyclic impurity (single configuration)(5aS,10aS)-1,2,3,5a,6,7,8,10a-octahydrodipyrrolo[1,2-c:1',2'-f]pyrazine-5,10-dione
(5AS,10aS)-octahydro-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dioneXGU973420WL-Proline anhydride(5aS,10aS)-octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione5H,10H-Dipyrrolo(1,2-a:1',2'-d)pyrazine-5,10-dione, octahydro-, (5aS,10aS)-5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, octahydro-, (5aS,10aS)-Cyclo(-Pro-Pro-)Cyclo(prolylproline) [INCI]
Database identifiers
- CAS
19943-27-2- PubChem CID
- 736756
- DTXSID
DTXSID201313224- ChEMBL
CHEMBL4473867- UNII
- XGU973420W
- Nikkaji
- J272.515K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 240 °C · 240 °C
- Boiling point
- 413.5 · 413.5±25.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.85 · -0.85±0.20(Predicted)
- FDA UNII
- 973420 W · XGU973420W
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Related reactions
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Compound notes
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