2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

C15H21FN2O3 — CID 139579845

IUPAC2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H21FN2O3/c1-10(2)5-13(15(20)21)18-7-11(3-4-14(18)19)6-17-8-12(16)9-17/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyMIYLEJPRMJXUAC-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.67
Rot. Bonds6

About 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 139579845) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID139579845
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CN2CC(F)C2)ccc1=O
InChIInChI=1S/C15H21FN2O3/c1-10(2)5-13(15(20)21)18-7-11(3-4-14(18)19)6-17-8-12(16)9-17/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyMIYLEJPRMJXUAC-UHFFFAOYSA-N
XLogP1.67
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid with MolForge

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Related Compounds

lithium;ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 162037650
2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781100
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-6-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-8-methyl-5-oxononanoic acid
CID 158835118
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2R)-2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 146182883
lithium;ethyl 2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 169430380
2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid
CID 175087963
ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
CID 146183465
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide
CID 158464176
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
(3S)-6-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoic acid
CID 160761611
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 139579845) is 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1cc(CN2CC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is MIYLEJPRMJXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)5-13(15(20)21)18-7-11(3-4-14(18)19)6-17-8-12(16)9-17/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 296.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 139579845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).