4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C11H16F3NO3 — CID 65299852

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-10(2,9(17)18)5-8(16)15(7-3-4-7)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyVMAOYXGTJOGNJH-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds5

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299852) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299852
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-10(2,9(17)18)5-8(16)15(7-3-4-7)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyVMAOYXGTJOGNJH-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
4-Oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 54875334
4-[Butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875519
4-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 54875573
4-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 54926281
2,2-Diethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 55010976
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60662230
2,2-Diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60891932
2,2-Diethyl-4-oxo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60948551
2,2-Diethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60948659
2,2-Diethyl-4-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60949180
4-Oxo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60949185

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299852) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N(CC(F)(F)F)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is VMAOYXGTJOGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-10(2,9(17)18)5-8(16)15(7-3-4-7)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).