2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid

C18H15NO6 — CID 155486643

IUPAC2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid
SMILESCc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)n1CC(=O)O
InChIInChI=1S/C18H15NO6/c1-10-7-13-16(18(24)19(10)9-15(22)23)12(8-14(20)21)17(25-13)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyGHCRKAHZDHIOND-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.28
Rot. Bonds5

About 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid

2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid (PubChem CID 155486643) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid
PubChem CID155486643
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid
SMILESCc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)n1CC(=O)O
InChIInChI=1S/C18H15NO6/c1-10-7-13-16(18(24)19(10)9-15(22)23)12(8-14(20)21)17(25-13)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyGHCRKAHZDHIOND-UHFFFAOYSA-N
XLogP2.28
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid (CID 155486643) is 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid is Cc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)n1CC(=O)O.
What is the InChIKey of 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid?
The InChIKey is GHCRKAHZDHIOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-10-7-13-16(18(24)19(10)9-15(22)23)12(8-14(20)21)17(25-13)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid?
2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid has a molecular weight of 341.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(carboxymethyl)-6-methyl-4-oxo-2-phenylfuro[3,2-c]pyridin-3-yl]acetic acid is sourced from PubChem (CID 155486643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).