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

C10H17F3N2O3 — CID 54949244

IUPACethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCCN(CC(F)(F)F)C(=O)NCC(=O)OCC
InChIInChI=1S/C10H17F3N2O3/c1-3-5-15(7-10(11,12)13)9(17)14-6-8(16)18-4-2/h3-7H2,1-2H3,(H,14,17)
InChIKeyCEGGQJYNOKTSPQ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.53
Rot. Bonds6

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

ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (PubChem CID 54949244) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
PubChem CID54949244
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCCN(CC(F)(F)F)C(=O)NCC(=O)OCC
InChIInChI=1S/C10H17F3N2O3/c1-3-5-15(7-10(11,12)13)9(17)14-6-8(16)18-4-2/h3-7H2,1-2H3,(H,14,17)
InChIKeyCEGGQJYNOKTSPQ-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]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

Ethyl 2-acetamido-3,3,3-trifluoro-2-(isopropylamino)propionate
CID 539075
2-Acetylamino-3,3,3-trifluoro-2-(2-methoxy-ethylamino)-propionic acid ethyl ester
CID 3816115
Ethyl 2-acetamido-2-(butylamino)-3,3,3-trifluoropropionate
CID 597945
Ethyl 2-butylamino-2-butyramido-3,3,3-trifluoropropionate
CID 597946
Ethyl 2-acetamido-2-(diethylamino)-3,3,3-trifluoropropionate
CID 597947
ethyl 3,3,3-trifluoro-N-(methylcarbamoyl)alaninate
CID 3359082
Ethyl 3,3,3-trifluoro-2-(methylamino)-2-(propylamino)propionate
CID 539884
Ethyl 2-acetamido-3,3,3-trifluoro-2-(isobutylamino)propionate
CID 540064
Ethyl 2-acetamido-2-(sec-butylamino)-3,3,3-trifluoropropionate
CID 541884
Ethyl 2-butyramido-3,3,3-trifluoro-2-(propylamino)propionate
CID 593103
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Ethyl 2-[bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]acetate
CID 59386384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (CID 54949244) is ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is CCCN(CC(F)(F)F)C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The InChIKey is CEGGQJYNOKTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-5-15(7-10(11,12)13)9(17)14-6-8(16)18-4-2/h3-7H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate has a molecular weight of 270.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 54949244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).