2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid

C11H19F3N2O3 — CID 113308746

IUPAC2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-4-10(5-2,8(17)18)6-15-9(19)16(3)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBWPMFFOXIJEZNP-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid

2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 113308746) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID113308746
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-4-10(5-2,8(17)18)6-15-9(19)16(3)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBWPMFFOXIJEZNP-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid (CID 113308746) is 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)N(C)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is BWPMFFOXIJEZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-10(5-2,8(17)18)6-15-9(19)16(3)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 113308746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).