3-((4-Hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
Basic information
- CAS
5654-84-2- Standard SMILES
O=C1NC(Cc2ccc(O)cc2)C(=O)N2CCCC12- InChIKey
LSGOTAXPWMCUCK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Overview
Cyclo(Tyr-Pro) is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- 3-((4-Hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
- IUPAC
- 3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
- English name
- Cyclo(Tyr-Pro)
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione3-((4-Hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dioneRefChem:1066306Cyclo(Tyr-Pro)5654-84-2Cyclo(prolyltyrosyl)3-(4-Hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneNSC64612074345-23-6cyclo(tyrosyl-prolyl)MEGxm0_000419SCHEMBL4320879
Show more names
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]-
CHEMBL1980823CHEBI:176817DTXSID601157236HY-N125243-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dioneAKOS015954954Hexahydro-3-[(4-hydroxyphenyl)methyl]pyrrolo[1,2-a]pyrazine-1,4-dioneFS-6946
Database identifiers
- CAS
5654-84-2- PubChem CID
- 371682
- DTXSID
DTXSID601157236- ChEMBL
CHEMBL1980823- ChEBI
CHEBI:176817- Nikkaji
- J2.946.155D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 581.4 · 581.4±43.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.92 · 9.92±0.15(Predicted)
Chemistry & industry
Applications
UsesCyclo(prolyltyrosyl) is a natural compound that can be found in various microorganisms and marine sponges. Cyclo(prolyltyrosyl) has antibacterial, phytotoxic and cytotoxic properties[1].
Additional notes
DefinitionChEBI: Cyclo(Tyr-Pro) is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
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