2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid

C15H14FNO3 — CID 146445500

IUPAC2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
SMILESNC(Cc1ccc(Oc2cccc(F)c2)cc1)C(=O)O
InChIInChI=1S/C15H14FNO3/c16-11-2-1-3-13(9-11)20-12-6-4-10(5-7-12)8-14(17)15(18)19/h1-7,9,14H,8,17H2,(H,18,19)
InChIKeyINHLHBJGGFYQNI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.57
Rot. Bonds5

About 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid

2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid (PubChem CID 146445500) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
PubChem CID146445500
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid
SMILESNC(Cc1ccc(Oc2cccc(F)c2)cc1)C(=O)O
InChIInChI=1S/C15H14FNO3/c16-11-2-1-3-13(9-11)20-12-6-4-10(5-7-12)8-14(17)15(18)19/h1-7,9,14H,8,17H2,(H,18,19)
InChIKeyINHLHBJGGFYQNI-UHFFFAOYSA-N
XLogP2.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328
2-amino-3-(3-fluorophenyl)propanoic acid;2,2,2-trifluoroacetic acid
CID 155543413
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
CID 70117929
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
(2R)-2-amino-3-(3-fluorophenyl)propanoic acid;(2R)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
CID 158153122
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid (CID 146445500) is 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid is NC(Cc1ccc(Oc2cccc(F)c2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid?
The InChIKey is INHLHBJGGFYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-11-2-1-3-13(9-11)20-12-6-4-10(5-7-12)8-14(17)15(18)19/h1-7,9,14H,8,17H2,(H,18,19).
What are the key properties of 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid?
2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid has a molecular weight of 275.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(3-fluorophenoxy)phenyl]propanoic acid is sourced from PubChem (CID 146445500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).