3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid

C11H18F3NO2 — CID 63067633

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCC(C)CN(C1CC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-7(2)6-15(8-3-4-8)9(5-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyWGLWAAFXVVCLNK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.51
Rot. Bonds6

About 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid

3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63067633) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63067633
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCC(C)CN(C1CC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-7(2)6-15(8-3-4-8)9(5-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyWGLWAAFXVVCLNK-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic 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-[cyclobutyl(2-methylpropyl)amino]butanoic acid
CID 112709290
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
4,4,4-trifluoro-3-[methyl(2-methylbutyl)amino]butanoic acid
CID 63067747
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997531
4,4,4-trifluoro-3-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81067677
3-[diethylcarbamoyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 167791495
4,4,4-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]butanoic acid
CID 63707539
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
4,4,4-trifluoro-3-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63067096
3-[(dimethylamino)methyl]-4,4,4-trifluorobutanoic acid;hydrochloride
CID 154577305
4-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64709685

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid (CID 63067633) is 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid is CC(C)CN(C1CC1)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is WGLWAAFXVVCLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)6-15(8-3-4-8)9(5-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid?
3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63067633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).