2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid

C13H13NO4 — CID 114989469

IUPAC2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid
SMILESCC(OCc1ccco1)(C(=O)O)c1ccccn1
InChIInChI=1S/C13H13NO4/c1-13(12(15)16,11-6-2-3-7-14-11)18-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQIOVVOCWPGDIAD-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.19
Rot. Bonds5

About 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid

2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid (PubChem CID 114989469) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid
PubChem CID114989469
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid
SMILESCC(OCc1ccco1)(C(=O)O)c1ccccn1
InChIInChI=1S/C13H13NO4/c1-13(12(15)16,11-6-2-3-7-14-11)18-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQIOVVOCWPGDIAD-UHFFFAOYSA-N
XLogP2.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469
2-but-2-enoxy-2-pyridin-2-ylpropanoic acid
CID 114998839
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide
CID 54229130
triethyl(furan-2-ylmethoxy)silane
CID 11435807
2-(furan-2-ylmethoxy)pyrimidine
CID 125483373
2-(furan-2-ylmethoxy)-2-methylpropan-1-amine
CID 62355609
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2-amino-3-(furan-2-ylmethoxy)propanoic acid
CID 65443764
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid (CID 114989469) is 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid is CC(OCc1ccco1)(C(=O)O)c1ccccn1.
What is the InChIKey of 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid?
The InChIKey is QIOVVOCWPGDIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-13(12(15)16,11-6-2-3-7-14-11)18-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid?
2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid has a molecular weight of 247.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 114989469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).