2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid

C20H18FNO3 — CID 54768269

IUPAC2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
SMILESNC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O
InChIInChI=1S/C20H18FNO3/c21-18-4-2-1-3-16(18)12-25-17-8-7-14-9-13(5-6-15(14)11-17)10-19(22)20(23)24/h1-9,11,19H,10,12,22H2,(H,23,24)
InChIKeyLVBSWFLDVHDKNE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.51
Rot. Bonds6

About 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid

2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid (PubChem CID 54768269) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
PubChem CID54768269
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
SMILESNC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O
InChIInChI=1S/C20H18FNO3/c21-18-4-2-1-3-16(18)12-25-17-8-7-14-9-13(5-6-15(14)11-17)10-19(22)20(23)24/h1-9,11,19H,10,12,22H2,(H,23,24)
InChIKeyLVBSWFLDVHDKNE-UHFFFAOYSA-N
XLogP3.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid (CID 54768269) is 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid is NC(Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O.
What is the InChIKey of 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
The InChIKey is LVBSWFLDVHDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-18-4-2-1-3-16(18)12-25-17-8-7-14-9-13(5-6-15(14)11-17)10-19(22)20(23)24/h1-9,11,19H,10,12,22H2,(H,23,24).
What are the key properties of 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid?
2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid has a molecular weight of 339.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid is sourced from PubChem (CID 54768269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).