2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid

C17H18FNO3 — CID 90345508

IUPAC2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid
SMILESNC(Cc1cc(OCCF)ccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H18FNO3/c18-8-9-22-14-6-7-15(12-4-2-1-3-5-12)13(10-14)11-16(19)17(20)21/h1-7,10,16H,8-9,11,19H2,(H,20,21)
InChIKeySHPWDWCJYZKOSF-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.66
Rot. Bonds7

About 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid

2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid (PubChem CID 90345508) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid
PubChem CID90345508
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid
SMILESNC(Cc1cc(OCCF)ccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H18FNO3/c18-8-9-22-14-6-7-15(12-4-2-1-3-5-12)13(10-14)11-16(19)17(20)21/h1-7,10,16H,8-9,11,19H2,(H,20,21)
InChIKeySHPWDWCJYZKOSF-UHFFFAOYSA-N
XLogP2.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid (CID 90345508) is 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid is NC(Cc1cc(OCCF)ccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid?
The InChIKey is SHPWDWCJYZKOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-8-9-22-14-6-7-15(12-4-2-1-3-5-12)13(10-14)11-16(19)17(20)21/h1-7,10,16H,8-9,11,19H2,(H,20,21).
What are the key properties of 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid?
2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid has a molecular weight of 303.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(2-fluoroethoxy)-2-phenylphenyl]propanoic acid is sourced from PubChem (CID 90345508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).