2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid

C11H13F3N2O5 — CID 114490300

IUPAC2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)7-1-3-16(4-2-7)10(20)15-8(17)5-21-6-9(18)19/h1H,2-6H2,(H,18,19)(H,15,17,20)
InChIKeyDTKWIQPHYJYBPX-UHFFFAOYSA-N
MW310.23 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid

2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid (PubChem CID 114490300) has the molecular formula C11H13F3N2O5 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid
PubChem CID114490300
Molecular FormulaC11H13F3N2O5
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)7-1-3-16(4-2-7)10(20)15-8(17)5-21-6-9(18)19/h1H,2-6H2,(H,18,19)(H,15,17,20)
InChIKeyDTKWIQPHYJYBPX-UHFFFAOYSA-N
XLogP0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid (CID 114490300) is 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is DTKWIQPHYJYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O5/c12-11(13,14)7-1-3-16(4-2-7)10(20)15-8(17)5-21-6-9(18)19/h1H,2-6H2,(H,18,19)(H,15,17,20).
What are the key properties of 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid?
2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 310.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 114490300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).