2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid

C14H14F4N2O4 — CID 120521258

IUPAC2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-9-4-3-8(5-19-9)11(21)20-10(12(22)23)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,20,21)(H,22,23)
InChIKeyGGSMOPKNXKFHHV-UHFFFAOYSA-N
MW350.27 g/mol
LogP1.95
Rot. Bonds8

About 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 120521258) has the molecular formula C14H14F4N2O4 and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
PubChem CID120521258
Molecular FormulaC14H14F4N2O4
Molecular Weight350.27 g/mol
Exact Mass350.09
IUPAC Name2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-9-4-3-8(5-19-9)11(21)20-10(12(22)23)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,20,21)(H,22,23)
InChIKeyGGSMOPKNXKFHHV-UHFFFAOYSA-N
XLogP1.95
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid (CID 120521258) is 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is GGSMOPKNXKFHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O4/c15-13(16)14(17,18)6-24-9-4-3-8(5-19-9)11(21)20-10(12(22)23)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,20,21)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 350.27 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 120521258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).