2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid

C22H34FN3O6 — CID 146289279

IUPAC2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC(C)(C)COCF)n1)C(=O)O
InChIInChI=1S/C22H34FN3O6/c1-6-22(7-2,20(28)29)25-18(27)16-8-9-17(26-10-15(11-26)30-5)19(24-16)32-13-21(3,4)12-31-14-23/h8-9,15H,6-7,10-14H2,1-5H3,(H,25,27)(H,28,29)
InChIKeyOKXRIQUIYPCUHZ-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.64
Rot. Bonds13

About 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid

2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid (PubChem CID 146289279) has the molecular formula C22H34FN3O6 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
PubChem CID146289279
Molecular FormulaC22H34FN3O6
Molecular Weight455.53 g/mol
Exact Mass455.24
IUPAC Name2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC(C)(C)COCF)n1)C(=O)O
InChIInChI=1S/C22H34FN3O6/c1-6-22(7-2,20(28)29)25-18(27)16-8-9-17(26-10-15(11-26)30-5)19(24-16)32-13-21(3,4)12-31-14-23/h8-9,15H,6-7,10-14H2,1-5H3,(H,25,27)(H,28,29)
InChIKeyOKXRIQUIYPCUHZ-UHFFFAOYSA-N
XLogP2.64
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

3,4-dideuterio-2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
CID 175889197
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 122179281
ethyl 2-ethyl-2-[[6-[(1-fluorocyclopropyl)methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 146289213
ethyl 2-[[6-[[(1S,2S)-2-[(2,2-dideuterio-2-fluoroethoxy)methyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 171472425
2-[[6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethyl-3-fluorobutanoic acid
CID 172774577
ethyl 2-ethyl-2-[[6-[[3-(3-fluoropropoxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 146289153
ethyl 2-[[6-[[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 156677543
N-[1-(fluoromethoxy)-3-methylbutan-2-yl]-6-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 146289288
6-[[(1S,2S)-2-(fluoromethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 150564176
ethyl 2-[[6-(cyclopropylmethoxy)-5-[3-(2,2-dideuterio-2-fluoroethyl)azetidin-1-yl]pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 155682102
6-[[(1R,2S)-2-(2-fluoroethoxymethyl)cyclopropyl]methoxy]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 151983519
6-[[3-[(2,2-dideuterio-2-fluoroethoxy)methyl]oxetan-3-yl]methoxy]-N-(1-hydroxypropan-2-yl)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 146289144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid (CID 146289279) is 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid is CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC(C)(C)COCF)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is OKXRIQUIYPCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O6/c1-6-22(7-2,20(28)29)25-18(27)16-8-9-17(26-10-15(11-26)30-5)19(24-16)32-13-21(3,4)12-31-14-23/h8-9,15H,6-7,10-14H2,1-5H3,(H,25,27)(H,28,29).
What are the key properties of 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid?
2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 455.53 g/mol, XLogP of 2.64, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 146289279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).