3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid

C11H19F3N2O3 — CID 79801539

IUPAC3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCC(C)(C)N(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6-9(2,3)16(5)8(19)15-10(4,7(17)18)11(12,13)14/h6H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyHTMMXKKEGMUZKO-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 79801539) 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-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID79801539
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCC(C)(C)N(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6-9(2,3)16(5)8(19)15-10(4,7(17)18)11(12,13)14/h6H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyHTMMXKKEGMUZKO-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid (CID 79801539) is 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid is CCC(C)(C)N(C)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is HTMMXKKEGMUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-6-9(2,3)16(5)8(19)15-10(4,7(17)18)11(12,13)14/h6H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.22, 4 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-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79801539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).