methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate

C14H21NO4 — CID 104586463

IUPACmethyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC2CC(OC)C2(C)C)c1
InChIInChI=1S/C14H21NO4/c1-14(2)11(6-12(14)17-3)15-7-10-5-9(8-19-10)13(16)18-4/h5,8,11-12,15H,6-7H2,1-4H3
InChIKeyKZTJJPNDZZQNQV-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.97
Rot. Bonds5

About methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate

methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate (PubChem CID 104586463) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
PubChem CID104586463
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC2CC(OC)C2(C)C)c1
InChIInChI=1S/C14H21NO4/c1-14(2)11(6-12(14)17-3)15-7-10-5-9(8-19-10)13(16)18-4/h5,8,11-12,15H,6-7H2,1-4H3
InChIKeyKZTJJPNDZZQNQV-UHFFFAOYSA-N
XLogP1.97
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(3-methylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586483
methyl 5-[[(3,5-dimethylcyclohexyl)amino]methyl]furan-3-carboxylate
CID 104586345
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]furan-3-carboxylate
CID 104585934
methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104585884
methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104586644
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-(chloromethyl)furan-3-carboxylate
CID 47002840
methyl 5-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-3-carboxylate
CID 104585759
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
CID 103743260

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate (CID 104586463) is methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNC2CC(OC)C2(C)C)c1.
What is the InChIKey of methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate?
The InChIKey is KZTJJPNDZZQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2)11(6-12(14)17-3)15-7-10-5-9(8-19-10)13(16)18-4/h5,8,11-12,15H,6-7H2,1-4H3.
What are the key properties of methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).