2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid

C11H18F3NO3 — CID 103497735

IUPAC2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-4-5-15(6-11(12,13)14)9(16)7(2)8(3)10(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyHJCLNJYQNNENAW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.14
Rot. Bonds6

About 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid

2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 103497735) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID103497735
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-4-5-15(6-11(12,13)14)9(16)7(2)8(3)10(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyHJCLNJYQNNENAW-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 103497735) is 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid is CCCN(CC(F)(F)F)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is HJCLNJYQNNENAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-4-5-15(6-11(12,13)14)9(16)7(2)8(3)10(17)18/h7-8H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid?
2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 103497735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).