methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate

C11H17NO4 — CID 115772273

IUPACmethyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)C(C)CO
InChIInChI=1S/C11H17NO4/c1-8(7-13)12(2)6-10-9(4-5-16-10)11(14)15-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyFGHBLGQVWUOEGH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.88
Rot. Bonds5

About methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate

methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate (PubChem CID 115772273) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
PubChem CID115772273
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)C(C)CO
InChIInChI=1S/C11H17NO4/c1-8(7-13)12(2)6-10-9(4-5-16-10)11(14)15-3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyFGHBLGQVWUOEGH-UHFFFAOYSA-N
XLogP0.88
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
CID 66185959
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 78836764
methyl 2-[[ethyl(piperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 60807301
methyl 2-(1-aminopropan-2-ylsulfanylmethyl)furan-3-carboxylate
CID 66217884
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
methyl 2-[[bis[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]furan-3-carboxylate
CID 24626846
methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
CID 106637513
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
methyl 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 18150303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate (CID 115772273) is methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)C(C)CO.
What is the InChIKey of methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate?
The InChIKey is FGHBLGQVWUOEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(7-13)12(2)6-10-9(4-5-16-10)11(14)15-3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate?
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 115772273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).