methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate

C15H19F3N2O4 — CID 47009843

IUPACmethyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC
InChIInChI=1S/C15H19F3N2O4/c1-4-9(2)13(14(23)24-3)19-11(21)8-20-7-10(15(16,17)18)5-6-12(20)22/h5-7,9,13H,4,8H2,1-3H3,(H,19,21)
InChIKeyFVDCRYZEYOXKOD-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.57
Rot. Bonds6

About methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate

methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate (PubChem CID 47009843) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
PubChem CID47009843
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Namemethyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC
InChIInChI=1S/C15H19F3N2O4/c1-4-9(2)13(14(23)24-3)19-11(21)8-20-7-10(15(16,17)18)5-6-12(20)22/h5-7,9,13H,4,8H2,1-3H3,(H,19,21)
InChIKeyFVDCRYZEYOXKOD-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate (CID 47009843) is methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate is CCC(C)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
The InChIKey is FVDCRYZEYOXKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-4-9(2)13(14(23)24-3)19-11(21)8-20-7-10(15(16,17)18)5-6-12(20)22/h5-7,9,13H,4,8H2,1-3H3,(H,19,21).
What are the key properties of methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate?
methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate has a molecular weight of 348.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate is sourced from PubChem (CID 47009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).