5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid

C11H12N2O5 — CID 62273798

IUPAC5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C11H12N2O5/c1-6-7(3-8(18-6)10(15)16)4-13-9(14)5-12(2)11(13)17/h3H,4-5H2,1-2H3,(H,15,16)
InChIKeyKDNJEZQATUSUPB-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.68
Rot. Bonds3

About 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid

5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62273798) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62273798
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CN1C(=O)CN(C)C1=O
InChIInChI=1S/C11H12N2O5/c1-6-7(3-8(18-6)10(15)16)4-13-9(14)5-12(2)11(13)17/h3H,4-5H2,1-2H3,(H,15,16)
InChIKeyKDNJEZQATUSUPB-UHFFFAOYSA-N
XLogP0.68
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid (CID 62273798) is 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1CN1C(=O)CN(C)C1=O.
What is the InChIKey of 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is KDNJEZQATUSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-6-7(3-8(18-6)10(15)16)4-13-9(14)5-12(2)11(13)17/h3H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid?
5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62273798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).