3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid

C13H20N2O4 — CID 103255451

IUPAC3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCC2CN(C)CCO2)oc1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-9-5-10(19-12(9)13(16)17)6-14-7-11-8-15(2)3-4-18-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyNHVOXRZESASLGY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.71
Rot. Bonds5

About 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid

3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid (PubChem CID 103255451) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
PubChem CID103255451
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNCC2CN(C)CCO2)oc1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-9-5-10(19-12(9)13(16)17)6-14-7-11-8-15(2)3-4-18-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyNHVOXRZESASLGY-UHFFFAOYSA-N
XLogP0.71
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621103
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid (CID 103255451) is 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid is Cc1cc(CNCC2CN(C)CCO2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is NHVOXRZESASLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9-5-10(19-12(9)13(16)17)6-14-7-11-8-15(2)3-4-18-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103255451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).