5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid

C13H19NO4 — CID 43621103

IUPAC5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCC1CN(Cc2cc(C)c(C(=O)O)o2)CCO1
InChIInChI=1S/C13H19NO4/c1-3-10-7-14(4-5-17-10)8-11-6-9(2)12(18-11)13(15)16/h6,10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyFYHMJQLMLALQFA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.90
Rot. Bonds4

About 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid

5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 43621103) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID43621103
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCC1CN(Cc2cc(C)c(C(=O)O)o2)CCO1
InChIInChI=1S/C13H19NO4/c1-3-10-7-14(4-5-17-10)8-11-6-9(2)12(18-11)13(15)16/h6,10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyFYHMJQLMLALQFA-UHFFFAOYSA-N
XLogP1.90
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylpiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621112
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
3-methyl-5-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 136570155
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 138004391
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 65281605
3-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-carboxylic acid
CID 62968587
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 43621103) is 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid is CCC1CN(Cc2cc(C)c(C(=O)O)o2)CCO1.
What is the InChIKey of 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is FYHMJQLMLALQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10-7-14(4-5-17-10)8-11-6-9(2)12(18-11)13(15)16/h6,10H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 43621103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).