4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid

C13H15F3N2O3 — CID 66247641

IUPAC4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCCN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C13H15F3N2O3/c1-2-18(10-7-21-6-9(10)12(19)20)11-4-3-8(5-17-11)13(14,15)16/h3-5,9-10H,2,6-7H2,1H3,(H,19,20)
InChIKeyGAYWHDQWFBNGGC-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.03
Rot. Bonds4

About 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247641) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
PubChem CID66247641
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCCN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C13H15F3N2O3/c1-2-18(10-7-21-6-9(10)12(19)20)11-4-3-8(5-17-11)13(14,15)16/h3-5,9-10H,2,6-7H2,1H3,(H,19,20)
InChIKeyGAYWHDQWFBNGGC-UHFFFAOYSA-N
XLogP2.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66235369
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-[ethyl-(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66245466
4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79111698
4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66245857
4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 114765479
4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
CID 103385115
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid (CID 66247641) is 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid is CCN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The InChIKey is GAYWHDQWFBNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-18(10-7-21-6-9(10)12(19)20)11-4-3-8(5-17-11)13(14,15)16/h3-5,9-10H,2,6-7H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid has a molecular weight of 304.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).