3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid

C10H9F3N2O3 — CID 79795224

IUPAC3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccncc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-2-4-14-5-3-6/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyWSOIGIBGWCWCLL-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.22
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid

3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid (PubChem CID 79795224) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
PubChem CID79795224
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccncc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-2-4-14-5-3-6/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyWSOIGIBGWCWCLL-UHFFFAOYSA-N
XLogP1.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
3,3,3-trifluoro-2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 79795231
2-[(3,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796236
3,3,3-trifluoro-2-methyl-2-(1,2-oxazole-5-carbonylamino)propanoic acid
CID 115824386
3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
3,3,3-trifluoro-2-methyl-2-[(3-methylbenzoyl)amino]propanoic acid
CID 79796397
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
3,3,3-trifluoro-2-methyl-2-[[3-(pyridin-2-ylmethyl)benzoyl]amino]propanoic acid
CID 167884610
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid (CID 79795224) is 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid is CC(NC(=O)c1ccncc1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid?
The InChIKey is WSOIGIBGWCWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-9(8(17)18,10(11,12)13)15-7(16)6-2-4-14-5-3-6/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid has a molecular weight of 262.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 79795224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).