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

C14H17F3N2O4 — CID 47089689

IUPACmethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate
SMILESCCC(C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC
InChIInChI=1S/C14H17F3N2O4/c1-4-13(2,12(22)23-3)18-10(20)8-19-7-5-6-9(11(19)21)14(15,16)17/h5-7H,4,8H2,1-3H3,(H,18,20)
InChIKeyIPSABIQEBDUIPF-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.33
Rot. Bonds5

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

methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate (PubChem CID 47089689) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate
PubChem CID47089689
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate
SMILESCCC(C)(NC(=O)Cn1cccc(C(F)(F)F)c1=O)C(=O)OC
InChIInChI=1S/C14H17F3N2O4/c1-4-13(2,12(22)23-3)18-10(20)8-19-7-5-6-9(11(19)21)14(15,16)17/h5-7H,4,8H2,1-3H3,(H,18,20)
InChIKeyIPSABIQEBDUIPF-UHFFFAOYSA-N
XLogP1.33
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate?
The IUPAC name of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate (CID 47089689) is methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate is CCC(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]butanoate?
The InChIKey is IPSABIQEBDUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-4-13(2,12(22)23-3)18-10(20)8-19-7-5-6-9(11(19)21)14(15,16)17/h5-7H,4,8H2,1-3H3,(H,18,20).
What are the key properties of methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate?
methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]butanoate has a molecular weight of 334.29 g/mol, XLogP of 1.33, 5 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]butanoate is sourced from PubChem (CID 47089689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).