3-(ethylamino)-3-(4-fluorophenyl)propanoic acid

C11H14FNO2 — CID 65234147

IUPAC3-(ethylamino)-3-(4-fluorophenyl)propanoic acid
SMILESCCNC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-13-10(7-11(14)15)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3,(H,14,15)
InChIKeyJETQHEZOWHUZNB-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.95
Rot. Bonds5

About 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid

3-(ethylamino)-3-(4-fluorophenyl)propanoic acid (PubChem CID 65234147) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(4-fluorophenyl)propanoic acid
PubChem CID65234147
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(ethylamino)-3-(4-fluorophenyl)propanoic acid
SMILESCCNC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c1-2-13-10(7-11(14)15)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3,(H,14,15)
InChIKeyJETQHEZOWHUZNB-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid (CID 65234147) is 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid is CCNC(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is JETQHEZOWHUZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-13-10(7-11(14)15)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3,(H,14,15).
What are the key properties of 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid?
3-(ethylamino)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 65234147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).