2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid

C14H13NO4 — CID 800730

IUPAC2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1
InChIInChI=1S/C14H13NO4/c1-9-2-7-12(19-9)14(18)15-11-5-3-10(4-6-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRNEYXJARGPIERD-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 800730) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid
PubChem CID800730
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1
InChIInChI=1S/C14H13NO4/c1-9-2-7-12(19-9)14(18)15-11-5-3-10(4-6-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRNEYXJARGPIERD-UHFFFAOYSA-N
XLogP2.47
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid (CID 800730) is 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid is Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1.
What is the InChIKey of 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RNEYXJARGPIERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-2-7-12(19-9)14(18)15-11-5-3-10(4-6-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylfuran-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 800730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).