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

C10H15F3N2O3 — CID 54949189

IUPACethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-8(16)5-14-9(17)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeySLHRVHHKCSYGDL-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.29
Rot. Bonds5

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

ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (PubChem CID 54949189) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
PubChem CID54949189
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Nameethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-8(16)5-14-9(17)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeySLHRVHHKCSYGDL-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[cyclopropyl(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 3,3,3-trifluoro-N-(methylcarbamoyl)alaninate
CID 3359082
Ethyl 2-acetamido-2-(sec-butylamino)-3,3,3-trifluoropropionate
CID 541884
Ethyl 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylate
CID 176237368
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
Ethyl 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54949013
Ethyl 2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54949244
Ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 60890848
Ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
2-[Cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61185922
2-[Butan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61186108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate (CID 54949189) is ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
The InChIKey is SLHRVHHKCSYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-18-8(16)5-14-9(17)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17).
What are the key properties of ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate?
ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate has a molecular weight of 268.23 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate is sourced from PubChem (CID 54949189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).