methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate

C13H19NO3 — CID 104586478

IUPACmethyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2(C)CCC2)c1
InChIInChI=1S/C13H19NO3/c1-13(4-3-5-13)9-14-7-11-6-10(8-17-11)12(15)16-2/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyMJBNHYGDEFZOHH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds5

About methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104586478) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
PubChem CID104586478
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC2(C)CCC2)c1
InChIInChI=1S/C13H19NO3/c1-13(4-3-5-13)9-14-7-11-6-10(8-17-11)12(15)16-2/h6,8,14H,3-5,7,9H2,1-2H3
InChIKeyMJBNHYGDEFZOHH-UHFFFAOYSA-N
XLogP2.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
CID 104586464
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
CID 104586370
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
CID 104585942
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-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[(4-chlorophenyl)methylamino]methyl]furan-3-carboxylate
CID 104585879
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate (CID 104586478) is methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCC2(C)CCC2)c1.
What is the InChIKey of methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is MJBNHYGDEFZOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(4-3-5-13)9-14-7-11-6-10(8-17-11)12(15)16-2/h6,8,14H,3-5,7,9H2,1-2H3.
What are the key properties of methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).