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102185-34-2 molecular structure
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1-tert-butyl 2-(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-1,2-dicarboxylate

ChemBase ID: 130937
Molecular Formular: C14H20N2O6
Molecular Mass: 312.3184
Monoisotopic Mass: 312.13213637
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON1C(=O)CCC1=O
Canonical SMILES:
O=C([C@H]1CCCN1C(=O)OC(C)(C)C)ON1C(=O)CCC1=O
InChI:
InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKey:
DICWIJISMKZDDY-SECBINFHSA-N

Cite this record

CBID:130937 http://www.chembase.cn/molecule-130937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-tert-butyl 2-(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-1,2-dicarboxylate
IUPAC Traditional name
1-tert-butyl 2-(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-1,2-dicarboxylate
Synonyms
Boc-D-proline N-hydroxysuccinimide ester
Boc-D-Pro-OSu
CAS Number
102185-34-2
MDL Number
MFCD00069687
PubChem SID
24891563
162225215
PubChem CID
853884

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 853884 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.704498  H Acceptors
H Donor LogD (pH = 5.5) 0.55563706 
LogD (pH = 7.4) 0.55563706  Log P 0.55563706 
Molar Refractivity 73.6132 cm3 Polarizability 29.208527 Å3
Polar Surface Area 93.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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