4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid

C11H11F3N2O4 — CID 138057760

IUPAC4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
SMILESCOc1ncccc1C(=O)NC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-20-10-6(3-2-4-15-10)9(19)16-7(5-8(17)18)11(12,13)14/h2-4,7H,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyJNEGNCFYBIBTCV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.23
Rot. Bonds5

About 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid

4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid (PubChem CID 138057760) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
PubChem CID138057760
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
SMILESCOc1ncccc1C(=O)NC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-20-10-6(3-2-4-15-10)9(19)16-7(5-8(17)18)11(12,13)14/h2-4,7H,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyJNEGNCFYBIBTCV-UHFFFAOYSA-N
XLogP1.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415816
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid (CID 138057760) is 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid is COc1ncccc1C(=O)NC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is JNEGNCFYBIBTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-20-10-6(3-2-4-15-10)9(19)16-7(5-8(17)18)11(12,13)14/h2-4,7H,5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid?
4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 138057760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).