2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid

C16H16FNO3 — CID 3475485

IUPAC2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-16(18,15(19)20)12-6-4-7-13(9-12)21-10-11-5-2-3-8-14(11)17/h2-9H,10,18H2,1H3,(H,19,20)
InChIKeyYNUFFPMYYRKNEO-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid

2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid (PubChem CID 3475485) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid
PubChem CID3475485
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-16(18,15(19)20)12-6-4-7-13(9-12)21-10-11-5-2-3-8-14(11)17/h2-9H,10,18H2,1H3,(H,19,20)
InChIKeyYNUFFPMYYRKNEO-UHFFFAOYSA-N
XLogP2.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
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-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid (CID 3475485) is 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid is CC(N)(C(=O)O)c1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid?
The InChIKey is YNUFFPMYYRKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-16(18,15(19)20)12-6-4-7-13(9-12)21-10-11-5-2-3-8-14(11)17/h2-9H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid?
2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid has a molecular weight of 289.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[(2-fluorophenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 3475485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).