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

C9H10FNO3 — CID 10535946

IUPAC2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
SMILESNC(Cc1cc([18F])ccc1O)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-6-1-2-8(12)5(3-6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/i10-1
InChIKeyFNDSEKSXHCJOBS-LMANFOLPSA-N
MW198.18 g/mol
LogP0.49
Rot. Bonds3

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

2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid (PubChem CID 10535946) has the molecular formula C9H10FNO3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
PubChem CID10535946
Molecular FormulaC9H10FNO3
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
SMILESNC(Cc1cc([18F])ccc1O)C(=O)O
InChIInChI=1S/C9H10FNO3/c10-6-1-2-8(12)5(3-6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/i10-1
InChIKeyFNDSEKSXHCJOBS-LMANFOLPSA-N
XLogP0.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic 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

2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694277
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
3-[2-(2-amino-2-carboxyethyl)-4-fluorophenyl]-2-methylpropanoic acid
CID 18956372
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
CID 175932180
CID 175932180
(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid (CID 10535946) is 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid is NC(Cc1cc([18F])ccc1O)C(=O)O.
What is the InChIKey of 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid?
The InChIKey is FNDSEKSXHCJOBS-LMANFOLPSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-6-1-2-8(12)5(3-6)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/i10-1.
What are the key properties of 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid?
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 10535946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).