4-[(2-fluorophenyl)methylamino]butanoic acid

C11H14FNO2 — CID 3237914

IUPAC4-[(2-fluorophenyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15)
InChIKeyKYGWTHOWROZWPZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.78
Rot. Bonds6

About 4-[(2-fluorophenyl)methylamino]butanoic acid

4-[(2-fluorophenyl)methylamino]butanoic acid (PubChem CID 3237914) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]butanoic acid
PubChem CID3237914
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-[(2-fluorophenyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15)
InChIKeyKYGWTHOWROZWPZ-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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6-[(Benzylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
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4-[(4-Fluorobenzyl)amino]-4-oxobutanoic acid
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3-Fluoro-4-(4-nonyl-benzylamino)-butyric acid
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4-(4-Nonyl-benzylamino)-butyric acid
CID 10236683
3-[(2-Phenylethyl)carbamoyl]propanoic acid
CID 3967310
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CID 2811149
N-(3-aminopropyl)-N'-[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
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4-[(4-Octylphenyl)methylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]butanoic acid?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]butanoic acid (CID 3237914) is 4-[(2-fluorophenyl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]butanoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]butanoic acid is O=C(O)CCCNCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]butanoic acid?
The InChIKey is KYGWTHOWROZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-10-5-2-1-4-9(10)8-13-7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15).
What are the key properties of 4-[(2-fluorophenyl)methylamino]butanoic acid?
4-[(2-fluorophenyl)methylamino]butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]butanoic acid is sourced from PubChem (CID 3237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).