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

C14H13NO5 — CID 114819008

IUPAC2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)co1
InChIInChI=1S/C14H13NO5/c1-9-6-10(7-19-9)14(18)15-11-4-2-3-5-12(11)20-8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPTTFXOVQKHZSIF-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.30
Rot. Bonds5

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

2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 114819008) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID114819008
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)co1
InChIInChI=1S/C14H13NO5/c1-9-6-10(7-19-9)14(18)15-11-4-2-3-5-12(11)20-8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPTTFXOVQKHZSIF-UHFFFAOYSA-N
XLogP2.30
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
CID 79975729
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid (CID 114819008) is 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid is Cc1cc(C(=O)Nc2ccccc2OCC(=O)O)co1.
What is the InChIKey of 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is PTTFXOVQKHZSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-9-6-10(7-19-9)14(18)15-11-4-2-3-5-12(11)20-8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 114819008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).