[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate

C14H15NO6 — CID 90081297

IUPAC[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate
SMILESCOc1ccc(C2OC(N)=C(OC(C)=O)C2=O)c(OC)c1
InChIInChI=1S/C14H15NO6/c1-7(16)20-13-11(17)12(21-14(13)15)9-5-4-8(18-2)6-10(9)19-3/h4-6,12H,15H2,1-3H3
InChIKeyKYWQQKGHHFBTHV-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.04
Rot. Bonds4

About [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate

[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate (PubChem CID 90081297) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate
PubChem CID90081297
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate
SMILESCOc1ccc(C2OC(N)=C(OC(C)=O)C2=O)c(OC)c1
InChIInChI=1S/C14H15NO6/c1-7(16)20-13-11(17)12(21-14(13)15)9-5-4-8(18-2)6-10(9)19-3/h4-6,12H,15H2,1-3H3
InChIKeyKYWQQKGHHFBTHV-UHFFFAOYSA-N
XLogP1.04
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate (CID 90081297) is [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate is COc1ccc(C2OC(N)=C(OC(C)=O)C2=O)c(OC)c1.
What is the InChIKey of [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate?
The InChIKey is KYWQQKGHHFBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-7(16)20-13-11(17)12(21-14(13)15)9-5-4-8(18-2)6-10(9)19-3/h4-6,12H,15H2,1-3H3.
What are the key properties of [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate?
[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate has a molecular weight of 293.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 90081297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).