2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid

C11H11F3N2O4 — CID 99697580

IUPAC2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-16(5-8(17)18)10(19)7-3-2-4-15-9(7)20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyBSTBAQCFOJANHV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.18
Rot. Bonds5

About 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid

2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 99697580) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
PubChem CID99697580
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-16(5-8(17)18)10(19)7-3-2-4-15-9(7)20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyBSTBAQCFOJANHV-UHFFFAOYSA-N
XLogP1.18
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 44775773
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31963518
methyl 2-methyl-5-[[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]furan-3-carboxylate
CID 31966993
2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 121427075
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid (CID 99697580) is 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is BSTBAQCFOJANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-16(5-8(17)18)10(19)7-3-2-4-15-9(7)20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid?
2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 99697580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).