3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid

C10H17F3N2O3 — CID 79798961

IUPAC3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid
SMILESCCC(C)(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-5-8(2,3)14-7(18)15-9(4,6(16)17)10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyACOBNUGTOAXIAP-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.88
Rot. Bonds4

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

3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid (PubChem CID 79798961) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid
PubChem CID79798961
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid
SMILESCCC(C)(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-5-8(2,3)14-7(18)15-9(4,6(16)17)10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyACOBNUGTOAXIAP-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid (CID 79798961) is 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid is CCC(C)(C)NC(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is ACOBNUGTOAXIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-5-8(2,3)14-7(18)15-9(4,6(16)17)10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(2-methylbutan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.88, 4 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-(2-methylbutan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 79798961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).