2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid

C11H14FNO3 — CID 102877379

IUPAC2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)CC(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13(7-11(14)15)6-8-3-4-9(16-2)5-10(8)12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyBEUVEFPGRDEYKZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.35
Rot. Bonds5

About 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid

2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid (PubChem CID 102877379) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
PubChem CID102877379
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)CC(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13(7-11(14)15)6-8-3-4-9(16-2)5-10(8)12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyBEUVEFPGRDEYKZ-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977637
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
3-[(4-chloro-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 115630959
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
4-chloro-5-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]dithiol-3-one
CID 146381197
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
2-[[(4R)-1-(2-fluoro-4-methoxybenzoyl)-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 128971355

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid (CID 102877379) is 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid is COc1ccc(CN(C)CC(=O)O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is BEUVEFPGRDEYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13(7-11(14)15)6-8-3-4-9(16-2)5-10(8)12/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid?
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 227.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 102877379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).