2-(18F)fluoro-3-hydroxypropanoic acid

C3H5FO3 — CID 151917009

IUPAC2-(18F)fluoro-3-hydroxypropanoic acid
SMILESO=C(O)C([18F])CO
InChIInChI=1S/C3H5FO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/i4-1
InChIKeySVYXLQRWNWOHSJ-NUTRPMROSA-N
MW107.07 g/mol
LogP-0.60
Rot. Bonds2

About 2-(18F)fluoro-3-hydroxypropanoic acid

2-(18F)fluoro-3-hydroxypropanoic acid (PubChem CID 151917009) has the molecular formula C3H5FO3 and a molecular weight of 107.07 g/mol. Its IUPAC name is 2-(18F)fluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(18F)fluoro-3-hydroxypropanoic acid
PubChem CID151917009
Molecular FormulaC3H5FO3
Molecular Weight107.07 g/mol
Exact Mass107.02
IUPAC Name2-(18F)fluoro-3-hydroxypropanoic acid
SMILESO=C(O)C([18F])CO
InChIInChI=1S/C3H5FO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/i4-1
InChIKeySVYXLQRWNWOHSJ-NUTRPMROSA-N
XLogP-0.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.07
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-sulfanylpropanoic acid
CID 19034215
(2S)-4-amino-2-fluorobutanoic acid
CID 7016346
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
copper;2,2-difluoroacetic acid
CID 88507984
2,2-difluoroacetic acid;gallane
CID 173230413
2-fluoro-3-(methylideneamino)propanoic acid
CID 170273570
2,5,5-trifluoro-4-methylpentanoic acid
CID 140926725
5-chloro-2-fluoropentanoic acid
CID 55302102
2-fluoro-4-methylidenepentanedioic acid
CID 87321628
2-bis[carboxy(fluoro)methyl]boranyl-2-fluoroacetic acid
CID 57317427
2,3-dihydroxypropanoic acid
CID 175601105
2,6,6-trifluoro-5-methylhexanoic acid
CID 142641839

Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoro-3-hydroxypropanoic acid?
The IUPAC name of 2-(18F)fluoro-3-hydroxypropanoic acid (CID 151917009) is 2-(18F)fluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(18F)fluoro-3-hydroxypropanoic acid?
The canonical SMILES for 2-(18F)fluoro-3-hydroxypropanoic acid is O=C(O)C([18F])CO.
What is the InChIKey of 2-(18F)fluoro-3-hydroxypropanoic acid?
The InChIKey is SVYXLQRWNWOHSJ-NUTRPMROSA-N. The full InChI is InChI=1S/C3H5FO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)/i4-1.
What are the key properties of 2-(18F)fluoro-3-hydroxypropanoic acid?
2-(18F)fluoro-3-hydroxypropanoic acid has a molecular weight of 107.07 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 151917009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).