4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid

C11H14FNO3 — CID 102988005

IUPAC4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
SMILESCc1ccc(F)cc1OC(CCN)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7-2-3-8(12)6-10(7)16-9(4-5-13)11(14)15/h2-3,6,9H,4-5,13H2,1H3,(H,14,15)
InChIKeyYQYSCHMESXVBLM-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.31
Rot. Bonds5

About 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid

4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid (PubChem CID 102988005) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
PubChem CID102988005
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
SMILESCc1ccc(F)cc1OC(CCN)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-7-2-3-8(12)6-10(7)16-9(4-5-13)11(14)15/h2-3,6,9H,4-5,13H2,1H3,(H,14,15)
InChIKeyYQYSCHMESXVBLM-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
4-amino-2-(3,5-difluorophenoxy)butanoic acid
CID 64695243
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83041479
2-(5-fluoro-2-nitrophenoxy)hexanoic acid
CID 113373448
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid?
The IUPAC name of 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid (CID 102988005) is 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid.
What is the SMILES notation for 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid?
The canonical SMILES for 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid is Cc1ccc(F)cc1OC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid?
The InChIKey is YQYSCHMESXVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7-2-3-8(12)6-10(7)16-9(4-5-13)11(14)15/h2-3,6,9H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid?
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid is sourced from PubChem (CID 102988005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).