ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate

C8H13F3N2O3 — CID 60890848

IUPACethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-3-16-6(14)4-12-7(15)13(2)5-8(9,10)11/h3-5H2,1-2H3,(H,12,15)
InChIKeyFBCUTWPQTOAQJJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate

ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (PubChem CID 60890848) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
PubChem CID60890848
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Nameethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-3-16-6(14)4-12-7(15)13(2)5-8(9,10)11/h3-5H2,1-2H3,(H,12,15)
InChIKeyFBCUTWPQTOAQJJ-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl hydantoate
CID 222535
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
ethyl 3,3,3-trifluoro-N-(methylcarbamoyl)alaninate
CID 3359082
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 87940906
Methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate
CID 146530860
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Ethyl 2-(difluorocarbamoylamino)acetate
CID 23235558
ethyl (2S)-3,3,3-trifluoro-2-(methylcarbamoylamino)propanoate
CID 40557702
ethyl (2R)-3,3,3-trifluoro-2-(methylcarbamoylamino)propanoate
CID 40557744
Ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54948797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (CID 60890848) is ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)CC(F)(F)F.
What is the InChIKey of ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The InChIKey is FBCUTWPQTOAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-3-16-6(14)4-12-7(15)13(2)5-8(9,10)11/h3-5H2,1-2H3,(H,12,15).
What are the key properties of ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate has a molecular weight of 242.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 60890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).