1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C19H16N2O4 — CID 166356791

IUPAC1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(-c2cnc3occc3c2)cc1
InChIInChI=1S/C19H16N2O4/c22-17-6-5-16(19(23)24)21(17)11-12-1-3-13(4-2-12)15-9-14-7-8-25-18(14)20-10-15/h1-4,7-10,16H,5-6,11H2,(H,23,24)
InChIKeyUJCJPMRRTCFPBM-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.07
Rot. Bonds4

About 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 166356791) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID166356791
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(-c2cnc3occc3c2)cc1
InChIInChI=1S/C19H16N2O4/c22-17-6-5-16(19(23)24)21(17)11-12-1-3-13(4-2-12)15-9-14-7-8-25-18(14)20-10-15/h1-4,7-10,16H,5-6,11H2,(H,23,24)
InChIKeyUJCJPMRRTCFPBM-UHFFFAOYSA-N
XLogP3.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 166356791) is 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1ccc(-c2cnc3occc3c2)cc1.
What is the InChIKey of 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is UJCJPMRRTCFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17-6-5-16(19(23)24)21(17)11-12-1-3-13(4-2-12)15-9-14-7-8-25-18(14)20-10-15/h1-4,7-10,16H,5-6,11H2,(H,23,24).
What are the key properties of 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-furo[2,3-b]pyridin-5-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166356791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).