3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid

C13H11F3N2O3S — CID 119351125

IUPAC3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)NCCC(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C13H11F3N2O3S/c1-6-7-2-3-8(13(14,15)16)18-12(7)22-10(6)11(21)17-5-4-9(19)20/h2-3H,4-5H2,1H3,(H,17,21)(H,19,20)
InChIKeyRZKZKDOOZUTWDG-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.83
Rot. Bonds4

About 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid

3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 119351125) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID119351125
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)NCCC(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C13H11F3N2O3S/c1-6-7-2-3-8(13(14,15)16)18-12(7)22-10(6)11(21)17-5-4-9(19)20/h2-3H,4-5H2,1H3,(H,17,21)(H,19,20)
InChIKeyRZKZKDOOZUTWDG-UHFFFAOYSA-N
XLogP2.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
2-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 120516988
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55723575
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 120518773
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid (CID 119351125) is 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid is Cc1c(C(=O)NCCC(=O)O)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is RZKZKDOOZUTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-6-7-2-3-8(13(14,15)16)18-12(7)22-10(6)11(21)17-5-4-9(19)20/h2-3H,4-5H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 332.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119351125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).