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

C10H17F3N2O3 — CID 54949013

IUPACethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2O3/c1-4-18-8(16)5-14-9(17)15(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyZSFICBRNBQHBQB-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.53
Rot. Bonds5

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

ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (PubChem CID 54949013) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
PubChem CID54949013
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2O3/c1-4-18-8(16)5-14-9(17)15(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyZSFICBRNBQHBQB-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

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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-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-sec-butylamino-2-butyramido-3,3,3-trifluoropropionate
CID 541589
Ethyl 2-acetamido-2-(sec-butylamino)-3,3,3-trifluoropropionate
CID 541884
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Ethyl 2-[formyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 87940906
Ethyl N'-isopropylureidoacetate
CID 541544
[(2S)-2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]-propan-2-ylazanium
CID 1884768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (CID 54949013) is ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The InChIKey is ZSFICBRNBQHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-18-8(16)5-14-9(17)15(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate has a molecular weight of 270.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 54949013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).