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

C17H25FN2O3 — CID 139579648

IUPAC2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CC(F)C1
InChIInChI=1S/C17H25FN2O3/c1-11(2)6-15(17(22)23)20-8-13(12(3)7-16(20)21)4-5-19-9-14(18)10-19/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H,22,23)
InChIKeyVJIIYAFLTIKQDH-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.02
Rot. Bonds7

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

2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 139579648) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID139579648
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CC(F)C1
InChIInChI=1S/C17H25FN2O3/c1-11(2)6-15(17(22)23)20-8-13(12(3)7-16(20)21)4-5-19-9-14(18)10-19/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H,22,23)
InChIKeyVJIIYAFLTIKQDH-UHFFFAOYSA-N
XLogP2.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

Ethyl 2-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)pyridin-1-yl]-4-methylpentanoate
CID 139579670
2-[5-[(3,3-Difluoroazetidin-1-yl)methyl]-2-oxopyridin-1-yl]-4-methylpentanoic acid
CID 139579691
Ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579744
Ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579749
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579807
2-[5-[(3-Fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579809
2-[3-(Difluoromethyl)-5-[2-(dimethylamino)ethyl]-2-oxopyridin-1-yl]-4-methylpentanoic acid
CID 139579828
2-[5-[(3-Fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579845
Ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579936
2-[5-[2-(Dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)pyridin-1-yl]-4-methylpentanoic acid
CID 139579943
2-(5-Fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid
CID 139579980
2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139580146

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 139579648) is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid is Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CC(F)C1.
What is the InChIKey of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is VJIIYAFLTIKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)6-15(17(22)23)20-8-13(12(3)7-16(20)21)4-5-19-9-14(18)10-19/h7-8,11,14-15H,4-6,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 324.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 139579648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).