2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid

C16H17NO5 — CID 75446936

IUPAC2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O
InChIInChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyIRYWCTGISWEAJK-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.00
Rot. Bonds5

About 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid

2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid (PubChem CID 75446936) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
PubChem CID75446936
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
SMILESCc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O
InChIInChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyIRYWCTGISWEAJK-UHFFFAOYSA-N
XLogP3.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The IUPAC name of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid (CID 75446936) is 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid is Cc1ccc(NC(=O)c2ccoc2C)cc1OC(C)C(=O)O.
What is the InChIKey of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
The InChIKey is IRYWCTGISWEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9-4-5-12(8-14(9)22-11(3)16(19)20)17-15(18)13-6-7-21-10(13)2/h4-8,11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid?
2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid has a molecular weight of 303.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid is sourced from PubChem (CID 75446936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).