3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C10H14F6N2O3 — CID 79788611

IUPAC3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c1-3-4-18(5-9(11,12)13)7(21)17-8(2,6(19)20)10(14,15)16/h3-5H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZDYWAPFNKACEQT-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.38
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 79788611) has the molecular formula C10H14F6N2O3 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID79788611
Molecular FormulaC10H14F6N2O3
Molecular Weight324.22 g/mol
Exact Mass324.09
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O3/c1-3-4-18(5-9(11,12)13)7(21)17-8(2,6(19)20)10(14,15)16/h3-5H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZDYWAPFNKACEQT-UHFFFAOYSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799158
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107482030
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400
3,3-dimethyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]butanoic acid
CID 116536982
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801413
3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002685
3,3,3-trifluoro-2-methyl-2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 79801254

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 79788611) is 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCCN(CC(F)(F)F)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZDYWAPFNKACEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O3/c1-3-4-18(5-9(11,12)13)7(21)17-8(2,6(19)20)10(14,15)16/h3-5H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 324.22 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79788611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).