5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid

C12H9NO7 — CID 726996

IUPAC5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cocc2C(=O)O)o1
InChIInChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyYOLQYRVZSNEQMO-UHFFFAOYSA-N
MW279.20 g/mol
LogP1.20
Rot. Bonds5

About 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 726996) has the molecular formula C12H9NO7 and a molecular weight of 279.20 g/mol. Its IUPAC name is 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID726996
Molecular FormulaC12H9NO7
Molecular Weight279.20 g/mol
Exact Mass279.04
IUPAC Name5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cocc2C(=O)O)o1
InChIInChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyYOLQYRVZSNEQMO-UHFFFAOYSA-N
XLogP1.20
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
5-{[(2-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-2-carboxylic acid
CID 573328
2-{[(3-Methyl-furan-2-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 587741
5-{[(5-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 573327
5-{[(2,5-Dimethyl-furan-3-carbonyl)-amino]-methyl}-furan-2-carboxylic acid
CID 844970
2-{[(5-Methyl-furan-2-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 768642
Ethyl 5-[[[[5-(1,1-dimethylethyl)-2-methyl-3-furanyl]carbonyl]amino]methyl]-2-furancarboxylate
CID 596773
4-{[(2,5-Dimethyl-furan-3-carbonyl)-amino]-methyl}-5-methyl-furan-2-carboxylic acid
CID 844983
5-{[(5-Tert-butyl-2-methyl-3-furoyl)amino]methyl}-2-furoic acid
CID 673167
N-[3-(furan-2-yl)-3-hydroxypropyl]furan-2-carboxamide
CID 71689736
Cambridge id 6628321
CID 3782601

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 726996) is 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2cocc2C(=O)O)o1.
What is the InChIKey of 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is YOLQYRVZSNEQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO7/c14-10(7-4-19-5-8(7)11(15)16)13-3-6-1-2-9(20-6)12(17)18/h1-2,4-5H,3H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 279.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-carboxyfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 726996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).