methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate

C12H19NO4 — CID 104586324

IUPACmethyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)(C)CCO)c1
InChIInChI=1S/C12H19NO4/c1-12(2,4-5-14)13-7-10-6-9(8-17-10)11(15)16-3/h6,8,13-14H,4-5,7H2,1-3H3
InChIKeyWPHGGBQFKYRWFP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.32
Rot. Bonds6

About methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate

methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate (PubChem CID 104586324) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
PubChem CID104586324
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNC(C)(C)CCO)c1
InChIInChI=1S/C12H19NO4/c1-12(2,4-5-14)13-7-10-6-9(8-17-10)11(15)16-3/h6,8,13-14H,4-5,7H2,1-3H3
InChIKeyWPHGGBQFKYRWFP-UHFFFAOYSA-N
XLogP1.32
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4-amino-2-methyl-4-oxobutan-2-yl)amino]methyl]furan-3-carboxylate
CID 113429184
methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
CID 115609386
methyl 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-3-carboxylate
CID 112688499
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
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-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
CID 104586323
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
3-(4-methoxycarbonylfuran-2-yl)propanoic acid
CID 99988483
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate (CID 104586324) is methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNC(C)(C)CCO)c1.
What is the InChIKey of methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is WPHGGBQFKYRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,4-5-14)13-7-10-6-9(8-17-10)11(15)16-3/h6,8,13-14H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).