4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

C11H16F3NO3 — CID 60662230

IUPAC4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCC(=O)O
InChIInChI=1S/C11H16F3NO3/c1-7(8-2-3-8)15(6-11(12,13)14)9(16)4-5-10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyFUWBJVKRAWLCAF-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds6

About 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (PubChem CID 60662230) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
PubChem CID60662230
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCC(=O)O
InChIInChI=1S/C11H16F3NO3/c1-7(8-2-3-8)15(6-11(12,13)14)9(16)4-5-10(17)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyFUWBJVKRAWLCAF-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (CID 60662230) is 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is CC(C1CC1)N(CC(F)(F)F)C(=O)CCC(=O)O.
What is the InChIKey of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The InChIKey is FUWBJVKRAWLCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(8-2-3-8)15(6-11(12,13)14)9(16)4-5-10(17)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60662230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).