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

C12H11NO5 — CID 573328

IUPAC5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1occc1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYOBRTNVYCBTSBS-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.81
Rot. Bonds4

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

5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 573328) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID573328
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1occc1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYOBRTNVYCBTSBS-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 5-[[(2-methylfuran-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

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
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
4-[(5-Carboxy-furan-2-ylmethyl)-carbamoyl]-furan-3-carboxylic acid
CID 726996

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 573328) is 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is Cc1occc1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is YOBRTNVYCBTSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-7-9(4-5-17-7)11(14)13-6-8-2-3-10(18-8)12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-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 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 573328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).