2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H17F3N2O3 — CID 79799158

IUPAC2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESC=C(C)CN(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-5-16(6-7(2)3)9(19)15-10(4,8(17)18)11(12,13)14/h2,5-6H2,1,3-4H3,(H,15,19)(H,17,18)
InChIKeyOUAYTWGIYOAUIU-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.00
Rot. Bonds5

About 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79799158) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79799158
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESC=C(C)CN(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-5-16(6-7(2)3)9(19)15-10(4,8(17)18)11(12,13)14/h2,5-6H2,1,3-4H3,(H,15,19)(H,17,18)
InChIKeyOUAYTWGIYOAUIU-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic 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

2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 79788611
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801413
(2R)-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 113353148
3,3,3-trifluoro-2-methyl-2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 79801254
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
3,3,3-trifluoro-2-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
CID 114037966
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801582
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788605
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400
3,3,3-trifluoro-2-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 79788617
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79799158) is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is C=C(C)CN(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is OUAYTWGIYOAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-5-16(6-7(2)3)9(19)15-10(4,8(17)18)11(12,13)14/h2,5-6H2,1,3-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 282.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79799158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).