2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid

C13H15F3N2O4 — CID 120518819

IUPAC2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
SMILESCN(C(=O)c1cccc(OCC(F)(F)F)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H15F3N2O4/c1-12(2,11(20)21)18(3)10(19)8-5-4-6-9(17-8)22-7-13(14,15)16/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyRMXPCUFNUKHVTL-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid

2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 120518819) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID120518819
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
SMILESCN(C(=O)c1cccc(OCC(F)(F)F)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H15F3N2O4/c1-12(2,11(20)21)18(3)10(19)8-5-4-6-9(17-8)22-7-13(14,15)16/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyRMXPCUFNUKHVTL-UHFFFAOYSA-N
XLogP1.96
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
2-methyl-2-phenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120700736
2-methyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120525800
3-methyl-4-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoic acid
CID 120537132
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
(2S,3S)-3-methyl-2-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]pentanoic acid
CID 120517434
N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118088044
N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 97215424
4-[[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542907
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 115498610
2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid (CID 120518819) is 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid is CN(C(=O)c1cccc(OCC(F)(F)F)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is RMXPCUFNUKHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c1-12(2,11(20)21)18(3)10(19)8-5-4-6-9(17-8)22-7-13(14,15)16/h4-6H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid?
2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 320.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120518819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).