2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid

C11H14FN3O2 — CID 135382824

IUPAC2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c1-11(2,9(16)17)7-5-15(6-7)10-13-3-8(12)4-14-10/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyJDYXDCXJAIVCCU-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.16
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid

2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid (PubChem CID 135382824) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
PubChem CID135382824
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c1-11(2,9(16)17)7-5-15(6-7)10-13-3-8(12)4-14-10/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyJDYXDCXJAIVCCU-UHFFFAOYSA-N
XLogP1.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-yl)-3-methylbutan-2-one;2-chloro-5-fluoropyrimidine;3-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-3-methylbutan-2-one;2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid;methane
CID 163963005
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656
(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
CID 104605935
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 71632079
(3aR,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155853613
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 75517092
(1S,5R)-3-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carbaldehyde
CID 144983979
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid (CID 135382824) is 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CN(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid?
The InChIKey is JDYXDCXJAIVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-11(2,9(16)17)7-5-15(6-7)10-13-3-8(12)4-14-10/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid?
2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 135382824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).