2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

C17H15FN2O6 — CID 118981549

IUPAC2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccc(F)c3)c1=O)COC2
InChIInChI=1S/C17H15FN2O6/c18-10-3-1-2-9(4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22)
InChIKeyCPSMWLNKFHLFLF-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.59
Rot. Bonds5

About 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 118981549) has the molecular formula C17H15FN2O6 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
PubChem CID118981549
Molecular FormulaC17H15FN2O6
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccc(F)c3)c1=O)COC2
InChIInChI=1S/C17H15FN2O6/c18-10-3-1-2-9(4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22)
InChIKeyCPSMWLNKFHLFLF-UHFFFAOYSA-N
XLogP0.59
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (CID 118981549) is 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccc(F)c3)c1=O)COC2.
What is the InChIKey of 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is CPSMWLNKFHLFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O6/c18-10-3-1-2-9(4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22).
What are the key properties of 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?
2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 362.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 118981549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).