5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid

C17H15F3N2O4 — CID 2814195

IUPAC5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)11-3-1-4-13(9-11)26-15-8-7-12(10-21-15)22-14(23)5-2-6-16(24)25/h1,3-4,7-10H,2,5-6H2,(H,22,23)(H,24,25)
InChIKeyXJGAERGPFUNACK-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.09
Rot. Bonds7

About 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid

5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid (PubChem CID 2814195) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
PubChem CID2814195
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)11-3-1-4-13(9-11)26-15-8-7-12(10-21-15)22-14(23)5-2-6-16(24)25/h1,3-4,7-10H,2,5-6H2,(H,22,23)(H,24,25)
InChIKeyXJGAERGPFUNACK-UHFFFAOYSA-N
XLogP4.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
1-[4-(1,1-difluoropropylsulfanyl)phenyl]-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 178016657
5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 118278600
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
N-(6-phenoxy-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 11719150
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid (CID 2814195) is 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid?
The InChIKey is XJGAERGPFUNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c18-17(19,20)11-3-1-4-13(9-11)26-15-8-7-12(10-21-15)22-14(23)5-2-6-16(24)25/h1,3-4,7-10H,2,5-6H2,(H,22,23)(H,24,25).
What are the key properties of 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid?
5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid has a molecular weight of 368.31 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 2814195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).