2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid

C12H13FN2O3 — CID 116681608

IUPAC2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C12H13FN2O3/c1-7(12(17)18)8-5-15(6-8)11(16)10-3-2-9(13)4-14-10/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyCFPMEUHZCJRBGJ-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.01
Rot. Bonds3

About 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681608) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681608
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C12H13FN2O3/c1-7(12(17)18)8-5-15(6-8)11(16)10-3-2-9(13)4-14-10/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyCFPMEUHZCJRBGJ-UHFFFAOYSA-N
XLogP1.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
2-[1-(2H-triazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116681175
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
1-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 104638330
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
2-[1-(5-methyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681018
[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 95476377
(5-fluoro-2-pyridinyl)-[(1R,2S,8S,9S)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 165418030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid (CID 116681608) is 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is CFPMEUHZCJRBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7(12(17)18)8-5-15(6-8)11(16)10-3-2-9(13)4-14-10/h2-4,7-8H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 252.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).