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

C12H11NO5 — CID 573327

IUPAC5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)co2)co1
InChIInChI=1S/C12H11NO5/c1-7-2-8(5-17-7)11(14)13-4-10-3-9(6-18-10)12(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMXGIEFDUWOIXES-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.81
Rot. Bonds4

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

5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 573327) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID573327
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(C(=O)O)co2)co1
InChIInChI=1S/C12H11NO5/c1-7-2-8(5-17-7)11(14)13-4-10-3-9(6-18-10)12(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMXGIEFDUWOIXES-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

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Related Compounds

N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
2-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
1-[(Furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2777280
[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-{[(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
5-({[(2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino}methyl)-3-furoic acid
CID 674054
1-(2,5-Dimethyl-furan-3-carbonyl)-pyrrolidine-2-carboxylic acid
CID 579189
5-{[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid ethyl ester
CID 646669
2-Morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 806406

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 573327) is 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1cc(C(=O)NCc2cc(C(=O)O)co2)co1.
What is the InChIKey of 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is MXGIEFDUWOIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-7-2-8(5-17-7)11(14)13-4-10-3-9(6-18-10)12(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid?
5-[[(5-methylfuran-3-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 5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 573327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).