2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid

C13H13NO5 — CID 114818894

IUPAC2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)co1
InChIInChI=1S/C13H13NO5/c1-7-3-9(6-18-7)12(15)14-5-10-4-11(13(16)17)8(2)19-10/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXJQALIFBDLROPI-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 114818894) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID114818894
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)co1
InChIInChI=1S/C13H13NO5/c1-7-3-9(6-18-7)12(15)14-5-10-4-11(13(16)17)8(2)19-10/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXJQALIFBDLROPI-UHFFFAOYSA-N
XLogP2.12
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494
2-methyl-5-[[(2-methylpyridine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 106752542
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
5-[[(3-ethylsulfonylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 114818894) is 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1cc(C(=O)NCc2cc(C(=O)O)c(C)o2)co1.
What is the InChIKey of 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is XJQALIFBDLROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7-3-9(6-18-7)12(15)14-5-10-4-11(13(16)17)8(2)19-10/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 114818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).