2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid

C11H14FNO4 — CID 117359338

IUPAC2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(OC)cc1CF
InChIInChI=1S/C11H14FNO4/c1-16-8-4-7(10(13)11(14)15)9(17-2)3-6(8)5-12/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeyMAWQGXJATOJWDS-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.26
Rot. Bonds5

About 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid

2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid (PubChem CID 117359338) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
PubChem CID117359338
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(OC)cc1CF
InChIInChI=1S/C11H14FNO4/c1-16-8-4-7(10(13)11(14)15)9(17-2)3-6(8)5-12/h3-4,10H,5,13H2,1-2H3,(H,14,15)
InChIKeyMAWQGXJATOJWDS-UHFFFAOYSA-N
XLogP1.26
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117361958
ethyl 2-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117433352
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid (CID 117359338) is 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid is COc1cc(C(N)C(=O)O)c(OC)cc1CF.
What is the InChIKey of 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid?
The InChIKey is MAWQGXJATOJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-16-8-4-7(10(13)11(14)15)9(17-2)3-6(8)5-12/h3-4,10H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid?
2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid has a molecular weight of 243.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid is sourced from PubChem (CID 117359338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).