4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid

C11H14FNO3 — CID 84791306

IUPAC4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
SMILESCc1cc(F)c(C(CN)CC(=O)O)cc1O
InChIInChI=1S/C11H14FNO3/c1-6-2-9(12)8(4-10(6)14)7(5-13)3-11(15)16/h2,4,7,14H,3,5,13H2,1H3,(H,15,16)
InChIKeyZQTRXSVINICBKK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid

4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid (PubChem CID 84791306) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
PubChem CID84791306
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
SMILESCc1cc(F)c(C(CN)CC(=O)O)cc1O
InChIInChI=1S/C11H14FNO3/c1-6-2-9(12)8(4-10(6)14)7(5-13)3-11(15)16/h2,4,7,14H,3,5,13H2,1H3,(H,15,16)
InChIKeyZQTRXSVINICBKK-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791312
4-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)butanoic acid
CID 84691044
4-amino-3-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714296
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid
CID 84676112
4-amino-3-(2-methylfuran-3-yl)butanoic acid
CID 82601605
4-amino-3-(3-methylfuran-2-yl)butanoic acid
CID 82601627
4-amino-3-[5-[bis(2-methylsulfonyloxyethyl)amino]-2-methylphenyl]butanoic acid
CID 118276939

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid?
The IUPAC name of 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid (CID 84791306) is 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid?
The canonical SMILES for 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid is Cc1cc(F)c(C(CN)CC(=O)O)cc1O.
What is the InChIKey of 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid?
The InChIKey is ZQTRXSVINICBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6-2-9(12)8(4-10(6)14)7(5-13)3-11(15)16/h2,4,7,14H,3,5,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid?
4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid is sourced from PubChem (CID 84791306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).