4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid

C10H17F3N2O4 — CID 55260125

IUPAC4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-15(5-2-3-8(16)17)9(18)14-4-6-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyIFUWBJJEUAOZAL-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.07
Rot. Bonds8

About 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid

4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid (PubChem CID 55260125) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
PubChem CID55260125
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-15(5-2-3-8(16)17)9(18)14-4-6-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyIFUWBJJEUAOZAL-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid 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

4-[2-(2-Aminoethoxy)ethylamino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 87662152
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010141
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 55259930
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 61204007
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 61492158
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 61492707
4-[Methyl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
CID 63227731
1-(2-Ethoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708369
4-Oxo-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63826739
2-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 63832124
4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 63832295
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]butanoic acid
CID 63833006

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid (CID 55260125) is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid?
The InChIKey is IFUWBJJEUAOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-15(5-2-3-8(16)17)9(18)14-4-6-19-7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid?
4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid has a molecular weight of 286.25 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 55260125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).