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

C13H19NO4 — CID 104585942

IUPACmethyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCC2CCCO2)c1
InChIInChI=1S/C13H19NO4/c1-16-13(15)10-7-12(18-9-10)8-14-5-4-11-3-2-6-17-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyOLJQVPBEIXFNOX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.72
Rot. Bonds6

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

methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate (PubChem CID 104585942) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
PubChem CID104585942
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCC2CCCO2)c1
InChIInChI=1S/C13H19NO4/c1-16-13(15)10-7-12(18-9-10)8-14-5-4-11-3-2-6-17-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyOLJQVPBEIXFNOX-UHFFFAOYSA-N
XLogP1.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[2-(3-methylcyclohexyl)ethylamino]methyl]furan-3-carboxylate
CID 104586293
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
CID 104585865
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
methyl 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]furan-3-carboxylate
CID 104586166
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate (CID 104585942) is methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCC2CCCO2)c1.
What is the InChIKey of methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate?
The InChIKey is OLJQVPBEIXFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-13(15)10-7-12(18-9-10)8-14-5-4-11-3-2-6-17-11/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate?
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).