(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C11H11F3N2O4 — CID 42901397

IUPAC(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(N)=O
InChIInChI=1S/C11H11F3N2O4/c1-6(10(15)19)20-9(18)5-16-4-7(11(12,13)14)2-3-8(16)17/h2-4,6H,5H2,1H3,(H2,15,19)
InChIKeyWDZVXEVDPFMJPU-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.28
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 42901397) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID42901397
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(N)=O
InChIInChI=1S/C11H11F3N2O4/c1-6(10(15)19)20-9(18)5-16-4-7(11(12,13)14)2-3-8(16)17/h2-4,6H,5H2,1H3,(H2,15,19)
InChIKeyWDZVXEVDPFMJPU-UHFFFAOYSA-N
XLogP0.28
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-1-oxopropan-2-yl) 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814992
ethyl (2S)-2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]oxypropanoate
CID 75494413
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 55315611
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284667
[2-(4-methylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18271367
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
1-(5-hydroxyhexyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280127
2-(3-ethylphenoxy)ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 8903016

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 42901397) is (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is WDZVXEVDPFMJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6(10(15)19)20-9(18)5-16-4-7(11(12,13)14)2-3-8(16)17/h2-4,6H,5H2,1H3,(H2,15,19).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
(1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 292.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 42901397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).