(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid

C15H14FNO4 — CID 89228026

IUPAC(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Oc2ccc(N)cc2F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(17)8-13(14)16/h2-9H,17H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyZCJZMXKIWKDTRJ-VIFPVBQESA-N
MW291.28 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid

(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid (PubChem CID 89228026) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid
PubChem CID89228026
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Oc2ccc(N)cc2F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(17)8-13(14)16/h2-9H,17H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyZCJZMXKIWKDTRJ-VIFPVBQESA-N
XLogP3.05
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid (CID 89228026) is (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid is C[C@H](Oc1ccc(Oc2ccc(N)cc2F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid?
The InChIKey is ZCJZMXKIWKDTRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(17)8-13(14)16/h2-9H,17H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid?
(2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid has a molecular weight of 291.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoic acid is sourced from PubChem (CID 89228026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).