2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid

C10H12N2O4 — CID 61023796

IUPAC2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2CCNC2=O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-8(9(13)14)4-7(16-6)5-12-3-2-11-10(12)15/h4H,2-3,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyGUBZRWYYWVDPPC-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid

2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 61023796) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID61023796
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCc1oc(CN2CCNC2=O)cc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-8(9(13)14)4-7(16-6)5-12-3-2-11-10(12)15/h4H,2-3,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyGUBZRWYYWVDPPC-UHFFFAOYSA-N
XLogP0.81
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid (CID 61023796) is 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid is Cc1oc(CN2CCNC2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is GUBZRWYYWVDPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-8(9(13)14)4-7(16-6)5-12-3-2-11-10(12)15/h4H,2-3,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid?
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).