methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate

C11H17NO5 — CID 104585806

IUPACmethyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCOCCO)c1
InChIInChI=1S/C11H17NO5/c1-15-11(14)9-6-10(17-8-9)7-12-2-4-16-5-3-13/h6,8,12-13H,2-5,7H2,1H3
InChIKeyFAKCPUUEFFKTPQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.16
Rot. Bonds8

About methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate

methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate (PubChem CID 104585806) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
PubChem CID104585806
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namemethyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCOCCO)c1
InChIInChI=1S/C11H17NO5/c1-15-11(14)9-6-10(17-8-9)7-12-2-4-16-5-3-13/h6,8,12-13H,2-5,7H2,1H3
InChIKeyFAKCPUUEFFKTPQ-UHFFFAOYSA-N
XLogP0.16
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]furan-3-carboxylate
CID 104586166
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
CID 104586193
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
CID 104585942
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate (CID 104585806) is methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCOCCO)c1.
What is the InChIKey of methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate?
The InChIKey is FAKCPUUEFFKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-15-11(14)9-6-10(17-8-9)7-12-2-4-16-5-3-13/h6,8,12-13H,2-5,7H2,1H3.
What are the key properties of methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate?
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).