4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid

C8H12F3NO3 — CID 43151856

IUPAC4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-12(4-2-3-7(14)15)6(13)5-8(9,10)11/h2-5H2,1H3,(H,14,15)
InChIKeyFUTGTSUUKFZPPX-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.26
Rot. Bonds5

About 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid

4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid (PubChem CID 43151856) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
PubChem CID43151856
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-12(4-2-3-7(14)15)6(13)5-8(9,10)11/h2-5H2,1H3,(H,14,15)
InChIKeyFUTGTSUUKFZPPX-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic 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

3-Carboxy-N-(2-Fluoroethyl)-N,N-Dimethylpropan-1-Aminium
CID 70673858
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
3-[3-Carboxypropyl(methyl)amino]propyl-dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 58587444
4-(4,4,4-Trifluorobutanoylamino)butanoic acid
CID 65711694
3-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 87558206
3-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetic acid
CID 87559216
4-(2,2-Difluorobutanoylamino)butanoic acid
CID 89018957
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710
4-Oxo-4-(3,6,6-trifluoro-3-methyl-1-azacyclooct-4-yn-1-yl)butanoic acid
CID 118886411
4-[Methyl-[4-[methyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]butanoic acid
CID 140497336

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid (CID 43151856) is 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
The InChIKey is FUTGTSUUKFZPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-12(4-2-3-7(14)15)6(13)5-8(9,10)11/h2-5H2,1H3,(H,14,15).
What are the key properties of 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid?
4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid has a molecular weight of 227.18 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid is sourced from PubChem (CID 43151856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).