2-(dibutylamino)-2-(4-fluorophenyl)acetic acid

C16H24FNO2 — CID 82345151

IUPAC2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
SMILESCCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyGPMGLFRGTAQLKO-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.85
Rot. Bonds9

About 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid

2-(dibutylamino)-2-(4-fluorophenyl)acetic acid (PubChem CID 82345151) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
PubChem CID82345151
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
SMILESCCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyGPMGLFRGTAQLKO-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dibutylamino)-2-(4-fluorophenyl)acetic 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-Fluoro-DL-phenylglycine
CID 580073
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
2-amino-2-(2,3-difluorophenyl)acetic Acid
CID 2737049
2-amino-2-(2,4-difluorophenyl)acetic Acid
CID 2737050
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
N-Acetyl-DL-phenylglycine
CID 85935
(1)-4-Fluorophenylglycine
CID 98313
2-(Dimethylamino)-3-phenylpropanoic acid
CID 140236
(S)-4-Fluorophenylglycine
CID 853015
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
Phenylalanine betaine
CID 16745393
2-(Methylamino)-2-phenylacetic acid
CID 228214

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid (CID 82345151) is 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid is CCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The InChIKey is GPMGLFRGTAQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid has a molecular weight of 281.37 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 82345151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).