4-[2-fluoroethyl(methyl)amino]butanoic acid

C7H14FNO2 — CID 80694935

IUPAC4-[2-fluoroethyl(methyl)amino]butanoic acid
SMILESCN(CCF)CCCC(=O)O
InChIInChI=1S/C7H14FNO2/c1-9(6-4-8)5-2-3-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyHZITUSNPZOHMPB-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.75
Rot. Bonds6

About 4-[2-fluoroethyl(methyl)amino]butanoic acid

4-[2-fluoroethyl(methyl)amino]butanoic acid (PubChem CID 80694935) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-[2-fluoroethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-fluoroethyl(methyl)amino]butanoic acid
PubChem CID80694935
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-[2-fluoroethyl(methyl)amino]butanoic acid
SMILESCN(CCF)CCCC(=O)O
InChIInChI=1S/C7H14FNO2/c1-9(6-4-8)5-2-3-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyHZITUSNPZOHMPB-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-fluoroethyl(methyl)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

4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
4-[methyl(2-sulfamoylethyl)amino]butanoic acid
CID 114385348
4-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55006281
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 55006167
hexanoic acid;N-methyl-N-propylpropan-1-amine
CID 173099175

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoroethyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[2-fluoroethyl(methyl)amino]butanoic acid (CID 80694935) is 4-[2-fluoroethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-fluoroethyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[2-fluoroethyl(methyl)amino]butanoic acid is CN(CCF)CCCC(=O)O.
What is the InChIKey of 4-[2-fluoroethyl(methyl)amino]butanoic acid?
The InChIKey is HZITUSNPZOHMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-9(6-4-8)5-2-3-7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of 4-[2-fluoroethyl(methyl)amino]butanoic acid?
4-[2-fluoroethyl(methyl)amino]butanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoroethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 80694935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).