5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C11H15NO5 — CID 119222157

IUPAC5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCC(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C11H15NO5/c1-7-9(11(14)15)4-8(17-7)5-12(2)10(13)6-16-3/h4H,5-6H2,1-3H3,(H,14,15)
InChIKeyJBHUWSVFNLGVQQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.89
Rot. Bonds5

About 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222157) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222157
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOCC(=O)N(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C11H15NO5/c1-7-9(11(14)15)4-8(17-7)5-12(2)10(13)6-16-3/h4H,5-6H2,1-3H3,(H,14,15)
InChIKeyJBHUWSVFNLGVQQ-UHFFFAOYSA-N
XLogP0.89
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(2-methoxyethoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222528
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
5-[[4-ethoxybutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222513
5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687007
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
5-[[[2-(butanoylamino)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222497
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
2-methyl-5-[[methyl-[4-(4-methylphenyl)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119221788

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222157) is 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is COCC(=O)N(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is JBHUWSVFNLGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7-9(11(14)15)4-8(17-7)5-12(2)10(13)6-16-3/h4H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).