methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate

C11H16N2O3 — CID 66185959

IUPACmethyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)C1CNC1
InChIInChI=1S/C11H16N2O3/c1-13(8-5-12-6-8)7-10-9(3-4-16-10)11(14)15-2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLQMGQIXPYOCYRZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate

methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate (PubChem CID 66185959) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
PubChem CID66185959
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)C1CNC1
InChIInChI=1S/C11H16N2O3/c1-13(8-5-12-6-8)7-10-9(3-4-16-10)11(14)15-2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyLQMGQIXPYOCYRZ-UHFFFAOYSA-N
XLogP0.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate (CID 66185959) is methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)C1CNC1.
What is the InChIKey of methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate?
The InChIKey is LQMGQIXPYOCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(8-5-12-6-8)7-10-9(3-4-16-10)11(14)15-2/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate?
methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 66185959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).