3-[ethyl(2-fluoroethyl)amino]butanoic acid

C8H16FNO2 — CID 80693669

IUPAC3-[ethyl(2-fluoroethyl)amino]butanoic acid
SMILESCCN(CCF)C(C)CC(=O)O
InChIInChI=1S/C8H16FNO2/c1-3-10(5-4-9)7(2)6-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyZBJNRJGPPVVTTP-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.14
Rot. Bonds6

About 3-[ethyl(2-fluoroethyl)amino]butanoic acid

3-[ethyl(2-fluoroethyl)amino]butanoic acid (PubChem CID 80693669) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-[ethyl(2-fluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-fluoroethyl)amino]butanoic acid
PubChem CID80693669
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name3-[ethyl(2-fluoroethyl)amino]butanoic acid
SMILESCCN(CCF)C(C)CC(=O)O
InChIInChI=1S/C8H16FNO2/c1-3-10(5-4-9)7(2)6-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyZBJNRJGPPVVTTP-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)butanoic acid
CID 21935982
3-(Dipropylamino)propanoic acid
CID 351690
(3R)-3-(dimethylamino)butanoic acid
CID 22803722
N-Isopropyl-N-methyl-beta-alanine hydrochloride
CID 44118491
3-(Methyl(pentan-3-yl)amino)propanoic acid hydrochloride
CID 134691765
(3S)-3-(dimethylamino)butanoic acid hydrochloride
CID 167732482
3-(Isopropyl(methyl)amino)propanoic acid
CID 17770037
3-[2-Fluoroethyl(2-methylpropyl)amino]propanoic acid
CID 146651817
3-[Methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[Methyl(pentan-2-yl)amino]propanoic acid
CID 43572313
3-(Dimethylamino)-4,4,4-trifluorobutanoic acid
CID 46864100
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55124058

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-fluoroethyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(2-fluoroethyl)amino]butanoic acid (CID 80693669) is 3-[ethyl(2-fluoroethyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(2-fluoroethyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(2-fluoroethyl)amino]butanoic acid is CCN(CCF)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(2-fluoroethyl)amino]butanoic acid?
The InChIKey is ZBJNRJGPPVVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-3-10(5-4-9)7(2)6-8(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[ethyl(2-fluoroethyl)amino]butanoic acid?
3-[ethyl(2-fluoroethyl)amino]butanoic acid has a molecular weight of 177.22 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-fluoroethyl)amino]butanoic acid is sourced from PubChem (CID 80693669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).