[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate

C13H13NO7 — CID 90081391

IUPAC[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2ccco2)c(O)c1OC(C)=O
InChIInChI=1S/C13H13NO7/c1-3-18-13(17)14-12-11(20-7(2)15)9(16)10(21-12)8-5-4-6-19-8/h4-6,16H,3H2,1-2H3,(H,14,17)
InChIKeyGSQJNKCNZJBQHP-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.74
Rot. Bonds4

About [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate

[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081391) has the molecular formula C13H13NO7 and a molecular weight of 295.25 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081391
Molecular FormulaC13H13NO7
Molecular Weight295.25 g/mol
Exact Mass295.07
IUPAC Name[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2ccco2)c(O)c1OC(C)=O
InChIInChI=1S/C13H13NO7/c1-3-18-13(17)14-12-11(20-7(2)15)9(16)10(21-12)8-5-4-6-19-8/h4-6,16H,3H2,1-2H3,(H,14,17)
InChIKeyGSQJNKCNZJBQHP-UHFFFAOYSA-N
XLogP2.74
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
[2-(2,5-dioxopyrrolidin-1-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081579
diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate
CID 45119740
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90083552
ethyl N-[5-(2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081842
ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081736
[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082113
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
CID 1409502
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90081391) is [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is CCOC(=O)Nc1oc(-c2ccco2)c(O)c1OC(C)=O.
What is the InChIKey of [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is GSQJNKCNZJBQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO7/c1-3-18-13(17)14-12-11(20-7(2)15)9(16)10(21-12)8-5-4-6-19-8/h4-6,16H,3H2,1-2H3,(H,14,17).
What are the key properties of [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate?
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 295.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).