3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid

C13H15F3N2O5 — CID 120531851

IUPAC3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C13H15F3N2O5/c1-12(6-22-2,11(20)21)18-10(19)8-3-4-17-9(5-8)23-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUDLFIQUXDGHOPG-UHFFFAOYSA-N
MW336.27 g/mol
LogP1.24
Rot. Bonds7

About 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid

3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 120531851) has the molecular formula C13H15F3N2O5 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
PubChem CID120531851
Molecular FormulaC13H15F3N2O5
Molecular Weight336.27 g/mol
Exact Mass336.09
IUPAC Name3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C13H15F3N2O5/c1-12(6-22-2,11(20)21)18-10(19)8-3-4-17-9(5-8)23-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUDLFIQUXDGHOPG-UHFFFAOYSA-N
XLogP1.24
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 166213529
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
CID 136527634
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 120529047
3-methoxy-2-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propanoic acid
CID 120531759

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid (CID 120531851) is 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid is COCC(C)(NC(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is UDLFIQUXDGHOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O5/c1-12(6-22-2,11(20)21)18-10(19)8-3-4-17-9(5-8)23-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid?
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid has a molecular weight of 336.27 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120531851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).