(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid

C7H7FN2O2 — CID 141184493

IUPAC(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ncncc1F
InChIInChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12)/t4-/m1/s1
InChIKeyBOCKAXPQEHEHOB-SCSAIBSYSA-N
MW170.14 g/mol
LogP0.80
Rot. Bonds2

About (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid

(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid (PubChem CID 141184493) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid
PubChem CID141184493
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid
SMILESC[C@@H](C(=O)O)c1ncncc1F
InChIInChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12)/t4-/m1/s1
InChIKeyBOCKAXPQEHEHOB-SCSAIBSYSA-N
XLogP0.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
Sodium 2-methyl-2-(pyrimidin-4-yl)propanoate
CID 137704115
Sodium 2-(5-bromopyrimidin-4-yl)acetate
CID 86346245
Sodium 2-(5-chloropyrimidin-4-yl)acetate
CID 119031653
3,3-Dimethyl-2-(pyrimidin-4-yl)butanoic acid
CID 155822370
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(Pyrimidin-4-yl)acetic acid
CID 21486925
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
CID 57010106
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
2-Fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
CID 59382475
2-(5-Fluoropyrimidin-4-yl)propanoic acid
CID 67382628
Ethyl 2-(5-fluoropyrimidin-4-yl)propanoate
CID 67382654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid?
The IUPAC name of (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid (CID 141184493) is (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid is C[C@@H](C(=O)O)c1ncncc1F.
What is the InChIKey of (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid?
The InChIKey is BOCKAXPQEHEHOB-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid?
(2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid has a molecular weight of 170.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoropyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 141184493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).