Home > Compound List > Compound details
80366-85-4 molecular structure
click picture or here to close

2,5-dioxopyrrolidin-1-yl 2-({[(tert-butoxy)carbonyl]amino}oxy)acetate

ChemBase ID: 161247
Molecular Formular: C11H16N2O7
Molecular Mass: 288.25394
Monoisotopic Mass: 288.09575086
SMILES and InChIs

SMILES:
C(=O)(CONC(=O)OC(C)(C)C)ON1C(=O)CCC1=O
Canonical SMILES:
O=C(ON1C(=O)CCC1=O)CONC(=O)OC(C)(C)C
InChI:
InChI=1S/C11H16N2O7/c1-11(2,3)19-10(17)12-18-6-9(16)20-13-7(14)4-5-8(13)15/h4-6H2,1-3H3,(H,12,17)
InChIKey:
ZZBOTLREHORFCK-UHFFFAOYSA-N

Cite this record

CBID:161247 http://www.chembase.cn/molecule-161247.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dioxopyrrolidin-1-yl 2-({[(tert-butoxy)carbonyl]amino}oxy)acetate
IUPAC Traditional name
2,5-dioxopyrrolidin-1-yl 2-{[(tert-butoxycarbonyl)amino]oxy}acetate
Synonyms
2-[[[(1,1-Dimethylethoxy)carbonyl]amino]oxy]acetic Acid 2,5-Dioxo-1-pyrrolidinyl Ester
[2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxoethoxy]carbamic Acid 1,1-Dimethylethyl Ester
t-Boc-aminooxyacetic Acid N-Hydroxysuccinimide Ester
CAS Number
80366-85-4
PubChem SID
162255382
PubChem CID
12098210

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B200760 external link Add to cart
PubChem 12098210 external link
Data Source Data ID Price
TRC
B200760 external link Add to cart Please log in.
Data Source Data ID
PubChem 12098210 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.442747  H Acceptors
H Donor LogD (pH = 5.5) -0.1347338 
LogD (pH = 7.4) -0.1381594  Log P -0.13468985 
Molar Refractivity 62.7804 cm3 Polarizability 25.23729 Å3
Polar Surface Area 111.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
Melting Point
108-110°C expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B200760 external link
A novel heterobifunctional linker for facile access to bioconjugates.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gait, M., et al.: Cell Mol. Life Sci., 60, 844 (2003)
  • • Hossany, R., et al.: Bioorg. Med. Chem., 12, 3743 (2003)
  • • Maurel, F., et al.: Bioorg. Med. Chem., 15, 5084 (2003)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle