2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid

C12H16FNO3 — CID 112518374

IUPAC2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
SMILESCOc1ccc(F)cc1CCN(C)CC(=O)O
InChIInChI=1S/C12H16FNO3/c1-14(8-12(15)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyZYYMUWQDQCDWGK-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid (PubChem CID 112518374) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
PubChem CID112518374
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
SMILESCOc1ccc(F)cc1CCN(C)CC(=O)O
InChIInChI=1S/C12H16FNO3/c1-14(8-12(15)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyZYYMUWQDQCDWGK-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258985
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115154397
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid (CID 112518374) is 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid is COc1ccc(F)cc1CCN(C)CC(=O)O.
What is the InChIKey of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid?
The InChIKey is ZYYMUWQDQCDWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-14(8-12(15)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid?
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid has a molecular weight of 241.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 112518374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).