(3R)-4-(18F)fluoro-3-hydroxybutanoic acid

C4H7FO3 — CID 172854074

IUPAC(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
SMILESO=C(O)C[C@@H](O)C[18F]
InChIInChI=1S/C4H7FO3/c5-2-3(6)1-4(7)8/h3,6H,1-2H2,(H,7,8)/t3-/m1/s1/i5-1
InChIKeyYLPLQDVHXXIUMW-WBVVLTMOSA-N
MW121.10 g/mol
LogP-0.21
Rot. Bonds3

About (3R)-4-(18F)fluoro-3-hydroxybutanoic acid

(3R)-4-(18F)fluoro-3-hydroxybutanoic acid (PubChem CID 172854074) has the molecular formula C4H7FO3 and a molecular weight of 121.10 g/mol. Its IUPAC name is (3R)-4-(18F)fluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
PubChem CID172854074
Molecular FormulaC4H7FO3
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
SMILESO=C(O)C[C@@H](O)C[18F]
InChIInChI=1S/C4H7FO3/c5-2-3(6)1-4(7)8/h3,6H,1-2H2,(H,7,8)/t3-/m1/s1/i5-1
InChIKeyYLPLQDVHXXIUMW-WBVVLTMOSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxypentanoic acid;methanol
CID 174973747
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
disodium;4-(3-carboxy-2-hydroxypropoxy)-3-hydroxybutanoic acid;hydride
CID 173266858
3,4-dihydroxybutanoic acid;formic acid
CID 90280644
3-hydroxy-4-phosphonobutanoic acid
CID 14010317
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440
(3S)-3-hydroxyheptanedioic acid
CID 87737490

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(18F)fluoro-3-hydroxybutanoic acid?
The IUPAC name of (3R)-4-(18F)fluoro-3-hydroxybutanoic acid (CID 172854074) is (3R)-4-(18F)fluoro-3-hydroxybutanoic acid.
What is the SMILES notation for (3R)-4-(18F)fluoro-3-hydroxybutanoic acid?
The canonical SMILES for (3R)-4-(18F)fluoro-3-hydroxybutanoic acid is O=C(O)C[C@@H](O)C[18F].
What is the InChIKey of (3R)-4-(18F)fluoro-3-hydroxybutanoic acid?
The InChIKey is YLPLQDVHXXIUMW-WBVVLTMOSA-N. The full InChI is InChI=1S/C4H7FO3/c5-2-3(6)1-4(7)8/h3,6H,1-2H2,(H,7,8)/t3-/m1/s1/i5-1.
What are the key properties of (3R)-4-(18F)fluoro-3-hydroxybutanoic acid?
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid has a molecular weight of 121.10 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(18F)fluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 172854074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).