methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate

C8H10F3NO5 — CID 59882299

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO5/c1-16-5(13)3-12(4-6(14)17-2)7(15)8(9,10)11/h3-4H2,1-2H3
InChIKeyHJKGVOQCOUBAEY-UHFFFAOYSA-N
MW257.16 g/mol
LogP-0.28
Rot. Bonds4

About methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 59882299) has the molecular formula C8H10F3NO5 and a molecular weight of 257.16 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID59882299
Molecular FormulaC8H10F3NO5
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO5/c1-16-5(13)3-12(4-6(14)17-2)7(15)8(9,10)11/h3-4H2,1-2H3
InChIKeyHJKGVOQCOUBAEY-UHFFFAOYSA-N
XLogP-0.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
N-acetyl sarcosine O-methyl ester
CID 21718769
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Glyphosate, trimethyl ester, N-TFA
CID 91747600
Glycine, N-acetyl-N-(trifluoroacetyl)-, methyl ester
CID 537572
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 587680
Glycine, N-ethyl-N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 592935
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990
Glycine, N-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22216825
Glycine, N-ethyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217131
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate (CID 59882299) is methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is HJKGVOQCOUBAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO5/c1-16-5(13)3-12(4-6(14)17-2)7(15)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 257.16 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 59882299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).