methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate

C14H23NO4 — CID 104586323

IUPACmethyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC(O)CC(C)(C)C)c1
InChIInChI=1S/C14H23NO4/c1-14(2,3)6-11(16)7-15-8-12-5-10(9-19-12)13(17)18-4/h5,9,11,15-16H,6-8H2,1-4H3
InChIKeyGRXQWEVVZLUESC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.95
Rot. Bonds6

About methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate

methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate (PubChem CID 104586323) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
PubChem CID104586323
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCC(O)CC(C)(C)C)c1
InChIInChI=1S/C14H23NO4/c1-14(2,3)6-11(16)7-15-8-12-5-10(9-19-12)13(17)18-4/h5,9,11,15-16H,6-8H2,1-4H3
InChIKeyGRXQWEVVZLUESC-UHFFFAOYSA-N
XLogP1.95
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-[[(2-hydroxy-4-methylpentyl)amino]methyl]furan-3-carboxylate
CID 104586138
methyl 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-3-carboxylate
CID 112688499
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]furan-3-carboxylate
CID 115609386
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586324
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
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-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-3-carboxylate
CID 104586464
methyl 5-ethylfuran-3-carboxylate
CID 23661323

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate (CID 104586323) is methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCC(O)CC(C)(C)C)c1.
What is the InChIKey of methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate?
The InChIKey is GRXQWEVVZLUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)6-11(16)7-15-8-12-5-10(9-19-12)13(17)18-4/h5,9,11,15-16H,6-8H2,1-4H3.
What are the key properties of methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).