2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid

C11H14FNO3 — CID 117326521

IUPAC2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(F)c(C)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-6-3-7(4-9(13)11(14)15)10(16-2)5-8(6)12/h3,5,9H,4,13H2,1-2H3,(H,14,15)
InChIKeyIQBCYDFBLWYITP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid

2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 117326521) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
PubChem CID117326521
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(F)c(C)cc1CC(N)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-6-3-7(4-9(13)11(14)15)10(16-2)5-8(6)12/h3,5,9H,4,13H2,1-2H3,(H,14,15)
InChIKeyIQBCYDFBLWYITP-UHFFFAOYSA-N
XLogP1.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117385942
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid (CID 117326521) is 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid is COc1cc(F)c(C)cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is IQBCYDFBLWYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6-3-7(4-9(13)11(14)15)10(16-2)5-8(6)12/h3,5,9H,4,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117326521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).