2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

C13H18FNO3 — CID 46984814

IUPAC2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H18FNO3/c1-9-8-10(4-5-11(9)14)12(13(16)17)15(2)6-7-18-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyACYOEMAWWCKVCR-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.84
Rot. Bonds6

About 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (PubChem CID 46984814) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
PubChem CID46984814
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H18FNO3/c1-9-8-10(4-5-11(9)14)12(13(16)17)15(2)6-7-18-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyACYOEMAWWCKVCR-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (CID 46984814) is 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is COCCN(C)C(C(=O)O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The InChIKey is ACYOEMAWWCKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-8-10(4-5-11(9)14)12(13(16)17)15(2)6-7-18-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid has a molecular weight of 255.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is sourced from PubChem (CID 46984814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).