3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

C11H19F3N2O3 — CID 79800807

IUPAC3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)5-7(3)15-9(19)16-10(4,8(17)18)11(12,13)14/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyUVVPRVSDZFJYER-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.13
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (PubChem CID 79800807) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
PubChem CID79800807
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)5-7(3)15-9(19)16-10(4,8(17)18)11(12,13)14/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyUVVPRVSDZFJYER-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (CID 79800807) is 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is CC(C)CC(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is UVVPRVSDZFJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-6(2)5-7(3)15-9(19)16-10(4,8(17)18)11(12,13)14/h6-7H,5H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 79800807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).