2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid

C13H13F3N2O5 — CID 166292540

IUPAC2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NC2(C(F)(F)F)CCOC2)c1=O
InChIInChI=1S/C13H13F3N2O5/c14-13(15,16)12(3-5-23-7-12)17-10(21)8-2-1-4-18(11(8)22)6-9(19)20/h1-2,4H,3,5-7H2,(H,17,21)(H,19,20)
InChIKeyWMDVXTXNVCTJTH-UHFFFAOYSA-N
MW334.25 g/mol
LogP0.38
Rot. Bonds4

About 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid

2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid (PubChem CID 166292540) has the molecular formula C13H13F3N2O5 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid
PubChem CID166292540
Molecular FormulaC13H13F3N2O5
Molecular Weight334.25 g/mol
Exact Mass334.08
IUPAC Name2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NC2(C(F)(F)F)CCOC2)c1=O
InChIInChI=1S/C13H13F3N2O5/c14-13(15,16)12(3-5-23-7-12)17-10(21)8-2-1-4-18(11(8)22)6-9(19)20/h1-2,4H,3,5-7H2,(H,17,21)(H,19,20)
InChIKeyWMDVXTXNVCTJTH-UHFFFAOYSA-N
XLogP0.38
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid (CID 166292540) is 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(C(=O)NC2(C(F)(F)F)CCOC2)c1=O.
What is the InChIKey of 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid?
The InChIKey is WMDVXTXNVCTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O5/c14-13(15,16)12(3-5-23-7-12)17-10(21)8-2-1-4-18(11(8)22)6-9(19)20/h1-2,4H,3,5-7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid?
2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid has a molecular weight of 334.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[[3-(trifluoromethyl)oxolan-3-yl]carbamoyl]-1-pyridinyl]acetic acid is sourced from PubChem (CID 166292540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).