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

C17H15FN2O6 — CID 118981500

IUPAC2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C(=O)n1c2c(c(O)cc1=O)COC2
InChIInChI=1S/C17H15FN2O6/c18-11-3-1-10(2-4-11)6-19(7-16(23)24)17(25)20-13-9-26-8-12(13)14(21)5-15(20)22/h1-5,21H,6-9H2,(H,23,24)
InChIKeyRMWKBXHFIRYKFI-UHFFFAOYSA-N
MW362.31 g/mol
LogP1.28
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid (PubChem CID 118981500) has the molecular formula C17H15FN2O6 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid
PubChem CID118981500
Molecular FormulaC17H15FN2O6
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C(=O)n1c2c(c(O)cc1=O)COC2
InChIInChI=1S/C17H15FN2O6/c18-11-3-1-10(2-4-11)6-19(7-16(23)24)17(25)20-13-9-26-8-12(13)14(21)5-15(20)22/h1-5,21H,6-9H2,(H,23,24)
InChIKeyRMWKBXHFIRYKFI-UHFFFAOYSA-N
XLogP1.28
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid (CID 118981500) is 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1)C(=O)n1c2c(c(O)cc1=O)COC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid?
The InChIKey is RMWKBXHFIRYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O6/c18-11-3-1-10(2-4-11)6-19(7-16(23)24)17(25)20-13-9-26-8-12(13)14(21)5-15(20)22/h1-5,21H,6-9H2,(H,23,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid?
2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid has a molecular weight of 362.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 118981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).