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

C16H23FN2O3 — CID 139580146

IUPAC2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-8-12(3-4-15(19)20)5-6-18-9-13(17)10-18/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,21,22)
InChIKeyMCTBWGBHLSQWGC-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.72
Rot. Bonds7

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

2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 139580146) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID139580146
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)ccc1=O
InChIInChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-8-12(3-4-15(19)20)5-6-18-9-13(17)10-18/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,21,22)
InChIKeyMCTBWGBHLSQWGC-UHFFFAOYSA-N
XLogP1.72
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-(6-oxo-1H-pyridin-3-yl)ethyl]amino]pentanoic acid
CID 57970472
(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-(1-methyl-6-oxo-3-pyridinyl)ethyl]amino]pentanoic acid
CID 57970531
2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579648
2-[5-[(3,3-Difluoroazetidin-1-yl)methyl]-2-oxopyridin-1-yl]-4-methylpentanoic acid
CID 139579691
Ethyl 2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxopyridin-1-yl]-4-methylpentanoate
CID 139579717
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 139580146) is 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1cc(CCN2CC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is MCTBWGBHLSQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-8-12(3-4-15(19)20)5-6-18-9-13(17)10-18/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 310.37 g/mol, XLogP of 1.72, 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]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 139580146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).