5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

C11H18F3NO3 — CID 54875575

IUPAC5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-8(2)6-15(7-11(12,13)14)9(16)4-3-5-10(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyZJFZOHBNRRQIHY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.29
Rot. Bonds7

About 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (PubChem CID 54875575) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
PubChem CID54875575
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C11H18F3NO3/c1-8(2)6-15(7-11(12,13)14)9(16)4-3-5-10(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyZJFZOHBNRRQIHY-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (CID 54875575) is 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is CC(C)CN(CC(F)(F)F)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The InChIKey is ZJFZOHBNRRQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-8(2)6-15(7-11(12,13)14)9(16)4-3-5-10(17)18/h8H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54875575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).