2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid

C11H14FNO3 — CID 103236307

IUPAC2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(C)cc1F)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7-3-4-9(8(12)5-7)13-10(6-16-2)11(14)15/h3-5,10,13H,6H2,1-2H3,(H,14,15)
InChIKeyGCJRYZZBCRKECK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid

2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid (PubChem CID 103236307) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
PubChem CID103236307
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
SMILESCOCC(Nc1ccc(C)cc1F)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7-3-4-9(8(12)5-7)13-10(6-16-2)11(14)15/h3-5,10,13H,6H2,1-2H3,(H,14,15)
InChIKeyGCJRYZZBCRKECK-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(2,3,5,6-tetrafluoroanilino)propanoic acid
CID 107645191
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
CID 103237265
2-(4-cyano-2-fluoroanilino)-4-methoxybutanoic acid
CID 62478283
2-(4-bromo-2,3-dichloroanilino)-3-methoxypropanoic acid
CID 107791298
2-(4-fluoro-5-methoxy-2-nitroanilino)-3-methoxypropanoic acid
CID 81078496
(2S)-2-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61199980
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412
2-(3-bromo-5-methylanilino)-3-methoxypropanoic acid
CID 107584256
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-(4-bromo-2-cyanoanilino)-3-methoxypropanoic acid
CID 114890227
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
2-(4-chloro-5-fluoro-2-nitroanilino)-3-methoxypropanoic acid
CID 81078775

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid (CID 103236307) is 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid is COCC(Nc1ccc(C)cc1F)C(=O)O.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid?
The InChIKey is GCJRYZZBCRKECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7-3-4-9(8(12)5-7)13-10(6-16-2)11(14)15/h3-5,10,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid?
2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid is sourced from PubChem (CID 103236307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).