2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

C12H13F3N2O3 — CID 120524125

IUPAC2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)c1cccnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-7(11(19)20)6-17(2)10(18)8-4-3-5-16-9(8)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,19,20)
InChIKeyDJYMADYHXWUNKV-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120524125) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID120524125
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)c1cccnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-7(11(19)20)6-17(2)10(18)8-4-3-5-16-9(8)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,19,20)
InChIKeyDJYMADYHXWUNKV-UHFFFAOYSA-N
XLogP1.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 120524125) is 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is CC(CN(C)C(=O)c1cccnc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is DJYMADYHXWUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7(11(19)20)6-17(2)10(18)8-4-3-5-16-9(8)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 290.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120524125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).