methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate

C11H15NO5 — CID 60810799

IUPACmethyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CNCc1ccc(C(=O)OC)o1
InChIInChI=1S/C11H15NO5/c1-3-16-10(13)7-12-6-8-4-5-9(17-8)11(14)15-2/h4-5,12H,3,6-7H2,1-2H3
InChIKeySDZAEINUBFZXDR-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.72
Rot. Bonds6

About methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate (PubChem CID 60810799) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
PubChem CID60810799
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CNCc1ccc(C(=O)OC)o1
InChIInChI=1S/C11H15NO5/c1-3-16-10(13)7-12-6-8-4-5-9(17-8)11(14)15-2/h4-5,12H,3,6-7H2,1-2H3
InChIKeySDZAEINUBFZXDR-UHFFFAOYSA-N
XLogP0.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 103923755
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate (CID 60810799) is methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate is CCOC(=O)CNCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is SDZAEINUBFZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-16-10(13)7-12-6-8-4-5-9(17-8)11(14)15-2/h4-5,12H,3,6-7H2,1-2H3.
What are the key properties of methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 60810799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).