methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate

C12H19NO4 — CID 115609386

IUPACmethyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOCC(C)(C)NCc1cc(C(=O)OC)co1
InChIInChI=1S/C12H19NO4/c1-12(2,8-15-3)13-6-10-5-9(7-17-10)11(14)16-4/h5,7,13H,6,8H2,1-4H3
InChIKeyYAYNRQYGAPKCEL-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.58
Rot. Bonds6

About methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate

methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate (PubChem CID 115609386) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
PubChem CID115609386
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOCC(C)(C)NCc1cc(C(=O)OC)co1
InChIInChI=1S/C12H19NO4/c1-12(2,8-15-3)13-6-10-5-9(7-17-10)11(14)16-4/h5,7,13H,6,8H2,1-4H3
InChIKeyYAYNRQYGAPKCEL-UHFFFAOYSA-N
XLogP1.58
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-3-carboxylate
CID 112688499
methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586324
methyl 5-[[(4-amino-2-methyl-4-oxobutan-2-yl)amino]methyl]furan-3-carboxylate
CID 113429184
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-(chloromethyl)furan-3-carboxylate
CID 47002840
methyl 5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-3-carboxylate
CID 107644134
methyl 5-[[(3-methylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586483
methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
CID 104586323
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(3,5-dimethylcyclohexyl)amino]methyl]furan-3-carboxylate
CID 104586345
3-(4-methoxycarbonylfuran-2-yl)propanoic acid
CID 99988483

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate (CID 115609386) is methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate is COCC(C)(C)NCc1cc(C(=O)OC)co1.
What is the InChIKey of methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is YAYNRQYGAPKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,8-15-3)13-6-10-5-9(7-17-10)11(14)16-4/h5,7,13H,6,8H2,1-4H3.
What are the key properties of methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 115609386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).