5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

C14H11NO6 — CID 114818831

IUPAC5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)co1
InChIInChI=1S/C14H11NO6/c1-7-2-10(6-21-7)12(16)15-11-4-8(13(17)18)3-9(5-11)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyUVRXODYFIVKUOQ-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.24
Rot. Bonds4

About 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 114818831) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID114818831
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)co1
InChIInChI=1S/C14H11NO6/c1-7-2-10(6-21-7)12(16)15-11-4-8(13(17)18)3-9(5-11)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyUVRXODYFIVKUOQ-UHFFFAOYSA-N
XLogP2.24
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
N-(3-hydroxyphenyl)-5-methylfuran-3-carboxamide
CID 877422
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (CID 114818831) is 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)co1.
What is the InChIKey of 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is UVRXODYFIVKUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-7-2-10(6-21-7)12(16)15-11-4-8(13(17)18)3-9(5-11)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 289.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 114818831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).