methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate

C13H22N2O4 — CID 103923755

IUPACmethyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)(O)CN(C)C)o1
InChIInChI=1S/C13H22N2O4/c1-13(17,9-15(2)3)8-14-7-10-5-6-11(19-10)12(16)18-4/h5-6,14,17H,7-9H2,1-4H3
InChIKeySUFKPXNXRJRXRO-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds7

About methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate (PubChem CID 103923755) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
PubChem CID103923755
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)(O)CN(C)C)o1
InChIInChI=1S/C13H22N2O4/c1-13(17,9-15(2)3)8-14-7-10-5-6-11(19-10)12(16)18-4/h5-6,14,17H,7-9H2,1-4H3
InChIKeySUFKPXNXRJRXRO-UHFFFAOYSA-N
XLogP0.47
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
methyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-fluorobenzoate
CID 106149213
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
1-(dimethylamino)-2-methyl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019143
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
CID 103839007
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
1-(dimethylamino)-2-methyl-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 103838866
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 106149182
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate (CID 103923755) is methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC(C)(O)CN(C)C)o1.
What is the InChIKey of methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate?
The InChIKey is SUFKPXNXRJRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(17,9-15(2)3)8-14-7-10-5-6-11(19-10)12(16)18-4/h5-6,14,17H,7-9H2,1-4H3.
What are the key properties of methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103923755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).