methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate

C15H19F3N2O4 — CID 86982612

IUPACmethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC
InChIInChI=1S/C15H19F3N2O4/c1-4-7-14(2,13(23)24-3)19-11(21)9-20-8-5-6-10(12(20)22)15(16,17)18/h5-6,8H,4,7,9H2,1-3H3,(H,19,21)
InChIKeyBKLCSEMYFVRPSE-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate (PubChem CID 86982612) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
PubChem CID86982612
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Namemethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC
InChIInChI=1S/C15H19F3N2O4/c1-4-7-14(2,13(23)24-3)19-11(21)9-20-8-5-6-10(12(20)22)15(16,17)18/h5-6,8H,4,7,9H2,1-3H3,(H,19,21)
InChIKeyBKLCSEMYFVRPSE-UHFFFAOYSA-N
XLogP1.72
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate with MolForge

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Related Compounds

methyl 2-[[(2S)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]hex-5-enoyl]amino]propanoate
CID 177938508
methyl (2S)-4-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215877
methyl (2R)-4-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215879
methyl (2S,3R)-3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215882
methyl (2S,3S)-3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215883
methyl (2R,3R)-3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215884
methyl (2R,3S)-3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 8215885
Methyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
CID 32982819
Methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate
CID 39040360
Methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 47009843
Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate
CID 47089689
Ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
CID 55967425

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate (CID 86982612) is methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The InChIKey is BKLCSEMYFVRPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-4-7-14(2,13(23)24-3)19-11(21)9-20-8-5-6-10(12(20)22)15(16,17)18/h5-6,8H,4,7,9H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate has a molecular weight of 348.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate is sourced from PubChem (CID 86982612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).