5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid

C11H17NO5 — CID 62269958

IUPAC5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
SMILESCOCC(O)CN(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C11H17NO5/c1-12(4-9(13)7-16-2)5-10-3-8(6-17-10)11(14)15/h3,6,9,13H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyDNNRHQXUNFZVJD-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.42
Rot. Bonds7

About 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid

5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid (PubChem CID 62269958) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
PubChem CID62269958
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
SMILESCOCC(O)CN(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C11H17NO5/c1-12(4-9(13)7-16-2)5-10-3-8(6-17-10)11(14)15/h3,6,9,13H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyDNNRHQXUNFZVJD-UHFFFAOYSA-N
XLogP0.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 62267286
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607291
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid (CID 62269958) is 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid is COCC(O)CN(C)Cc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is DNNRHQXUNFZVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-12(4-9(13)7-16-2)5-10-3-8(6-17-10)11(14)15/h3,6,9,13H,4-5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid?
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).