2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid

C10H12FNO3 — CID 146168544

IUPAC2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc([18F])cc1CC(N)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-15-9-3-2-7(11)4-6(9)5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)/i11-1
InChIKeyRVIQPUAYMLZLEM-KXMUYVCJSA-N
MW212.21 g/mol
LogP0.79
Rot. Bonds4

About 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid

2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid (PubChem CID 146168544) has the molecular formula C10H12FNO3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
PubChem CID146168544
Molecular FormulaC10H12FNO3
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc([18F])cc1CC(N)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-15-9-3-2-7(11)4-6(9)5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)/i11-1
InChIKeyRVIQPUAYMLZLEM-KXMUYVCJSA-N
XLogP0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
3-[2-(2-amino-2-carboxyethyl)-4-fluorophenyl]-2-methylpropanoic acid
CID 18956372
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid (CID 146168544) is 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid is COc1ccc([18F])cc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is RVIQPUAYMLZLEM-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-9-3-2-7(11)4-6(9)5-8(12)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)/i11-1.
What are the key properties of 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid?
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 146168544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).