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36238-67-2 molecular structure
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(3R,8aS)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione

ChemBase ID: 306151
Molecular Formular: C11H18N2O2
Molecular Mass: 210.27282
Monoisotopic Mass: 210.13682783
SMILES and InChIs

SMILES:
[C@@H]1(NC(=O)[C@H]2N(C1=O)CCC2)CC(C)C
Canonical SMILES:
CC(C[C@H]1NC(=O)[C@H]2N(C1=O)CCC2)C
InChI:
InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1
InChIKey:
SZJNCZMRZAUNQT-BDAKNGLRSA-N

Cite this record

CBID:306151 http://www.chembase.cn/molecule-306151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,8aS)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione
IUPAC Traditional name
(3R,8aS)-3-(2-methylpropyl)-hexahydropyrrolo[1,2-a]piperazine-1,4-dione
Synonyms
Cyclo(D-Leu-L-Pro)
CAS Number
36238-67-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02897
Data Source Data ID Price
BioBioPha
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.471552  H Acceptors
H Donor LogD (pH = 5.5) 0.45373732 
LogD (pH = 7.4) 0.4537051  Log P 0.45373774 
Molar Refractivity 55.9575 cm3 Polarizability 21.975462 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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