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42267-27-6 molecular structure
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N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}-2,2,2-trifluoroacetamide

ChemBase ID: 179063
Molecular Formular: C9H11F3N2O4
Molecular Mass: 268.1898496
Monoisotopic Mass: 268.0670915
SMILES and InChIs

SMILES:
O1C(=O)[C@@H](NC1=O)CCCCNC(=O)C(F)(F)F
Canonical SMILES:
O=C1N[C@H](C(=O)O1)CCCCNC(=O)C(F)(F)F
InChI:
InChI=1S/C9H11F3N2O4/c10-9(11,12)7(16)13-4-2-1-3-5-6(15)18-8(17)14-5/h5H,1-4H2,(H,13,16)(H,14,17)/t5-/m0/s1
InChIKey:
KWNIHCJDDYRQFW-YFKPBYRVSA-N

Cite this record

CBID:179063 http://www.chembase.cn/molecule-179063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}-2,2,2-trifluoroacetamide
IUPAC Traditional name
N-{4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl}-2,2,2-trifluoroacetamide
Synonyms
N-[4-[(4S)-2,5-Dioxo-4-oxazolidinyl]butyl]-2,2,2-trifluoroacetamide
(S)-N-[4-(2,5-Dioxo-4-oxazolidinyl)butyl]-2,2,2-trifluoroacetamide
Lys(Tfa)-NCA
N6-Trifluoroacetyl-L-lysine N-Carboxyanhydride
CAS Number
42267-27-6
PubChem SID
164234973
PubChem CID
6451853

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T788530 external link Add to cart
PubChem 6451853 external link
Data Source Data ID Price
TRC
T788530 external link Add to cart Please log in.
Data Source Data ID
PubChem 6451853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.226916  H Acceptors
H Donor LogD (pH = 5.5) 0.60151935 
LogD (pH = 7.4) -0.10445523  Log P 0.66697896 
Molar Refractivity 51.3564 cm3 Polarizability 19.643194 Å3
Polar Surface Area 84.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - T788530 external link
Used in the synthesis of new arborescent architectures of poly(L-lysine), called lysine dendrigraft (DGL) polymers. DGL polymers were prepd. through a multiple-generation scheme (up to generation 5) in a weakly acidic aq. medium by polycondensing N.vepsiln.-trifluoroacetyl-L-lysine-N-carboxyanhydride (Lys(Tfa)-NCA) onto the previous generation G(n-1) of DGL, which was used as a macroinitiator.

REFERENCES

REFERENCES

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  • • Svenson, S., et al.: Adv. Drug Delivery Rev., 57, 2106 (2005)
  • • Shen, X., et al.: Org. Biomol. Chem., 5, 3674 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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