3-[1-(2-fluorophenyl)ethylamino]propanoic acid

C11H14FNO2 — CID 43087232

IUPAC3-[1-(2-fluorophenyl)ethylamino]propanoic acid
SMILESCC(NCCC(=O)O)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-8(13-7-6-11(14)15)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyKNSJPZMROQEDQH-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.95
Rot. Bonds5

About 3-[1-(2-fluorophenyl)ethylamino]propanoic acid

3-[1-(2-fluorophenyl)ethylamino]propanoic acid (PubChem CID 43087232) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]propanoic acid
PubChem CID43087232
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]propanoic acid
SMILESCC(NCCC(=O)O)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-8(13-7-6-11(14)15)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyKNSJPZMROQEDQH-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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Related Compounds

3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 103257452
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
3-(1-phenylethylamino)propanoic acid
CID 2826777
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]propanoic acid (CID 43087232) is 3-[1-(2-fluorophenyl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]propanoic acid is CC(NCCC(=O)O)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]propanoic acid?
The InChIKey is KNSJPZMROQEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(13-7-6-11(14)15)9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]propanoic acid?
3-[1-(2-fluorophenyl)ethylamino]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-[1-(2-fluorophenyl)ethylamino]propanoic acid is sourced from PubChem (CID 43087232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).