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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54874781
2-[Pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875332
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
Ethyl 4-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60661010
2,2-Diethyl-4-oxo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60948551
2-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948808
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
2-Methyl-4-oxo-2-propan-2-yl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60949568

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).