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

C11H14FNO3 — CID 84691033

IUPAC3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc(C)c(F)cc1C(N)CC(=O)O
InChIInChI=1S/C11H14FNO3/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyUWZLOOLJPBIKFO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.62
Rot. Bonds4

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

3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid (PubChem CID 84691033) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
PubChem CID84691033
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc(C)c(F)cc1C(N)CC(=O)O
InChIInChI=1S/C11H14FNO3/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15)
InChIKeyUWZLOOLJPBIKFO-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-fluoro-2,5-dimethoxyphenyl)propanoic acid
CID 117359297
3-amino-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid
CID 117115911
3-amino-3-(2,4-difluoro-3,5-dimethoxyphenyl)propanoic acid
CID 117406580
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
3-amino-3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 117355526
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
3-amino-3-(3-fluoro-2,5,6-trimethoxyphenyl)propanoic acid
CID 117435376
3-amino-3-(4-fluoro-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84800908
3-amino-3-(3,5-dimethoxy-2-methylphenyl)propanoic acid
CID 117350570

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid (CID 84691033) is 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid is COc1cc(C)c(F)cc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid?
The InChIKey is UWZLOOLJPBIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-4,9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid?
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 84691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).