ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

C10H17F3N2O4 — CID 115613461

IUPACethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-3-19-8(16)6-15(4-5-18-2)9(17)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,17)
InChIKeyXLQLMGYIKYKBGX-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.77
Rot. Bonds7

About ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (PubChem CID 115613461) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
PubChem CID115613461
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Nameethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-3-19-8(16)6-15(4-5-18-2)9(17)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,17)
InChIKeyXLQLMGYIKYKBGX-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(2-methoxy-ethylamino)-propionic acid ethyl ester
CID 3816115
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
Ethyl 2-acetamido-2-(diethylamino)-3,3,3-trifluoropropionate
CID 597947
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 87940906
3,3-Difluorohexane;ethane;methyl 2-(morpholine-4-carbonylamino)acetate
CID 143054577
Methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate
CID 146530860
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
[(2S)-2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]-(2-methoxyethyl)azanium
CID 7372638
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 7372639
[(2R)-2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]-(2-methoxyethyl)azanium
CID 7372640
ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 7372641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (CID 115613461) is ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)NCC(F)(F)F.
What is the InChIKey of ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The InChIKey is XLQLMGYIKYKBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-3-19-8(16)6-15(4-5-18-2)9(17)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate has a molecular weight of 286.25 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is sourced from PubChem (CID 115613461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).