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

C12H11NO5 — CID 587741

IUPAC2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccoc1C(=O)NCc1occc1C(=O)O
InChIInChI=1S/C12H11NO5/c1-7-2-4-18-10(7)11(14)13-6-9-8(12(15)16)3-5-17-9/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOJHDQUZDECMSGV-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.81
Rot. Bonds4

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

2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 587741) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID587741
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccoc1C(=O)NCc1occc1C(=O)O
InChIInChI=1S/C12H11NO5/c1-7-2-4-18-10(7)11(14)13-6-9-8(12(15)16)3-5-17-9/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyOJHDQUZDECMSGV-UHFFFAOYSA-N
XLogP1.81
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 587741) is 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1ccoc1C(=O)NCc1occc1C(=O)O.
What is the InChIKey of 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is OJHDQUZDECMSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-7-2-4-18-10(7)11(14)13-6-9-8(12(15)16)3-5-17-9/h2-5H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 587741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).