5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid

C7H9N3O3 — CID 118613858

IUPAC5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2c1CN(O)C2
InChIInChI=1S/C7H9N3O3/c1-9-5-3-10(13)2-4(5)8-6(9)7(11)12/h13H,2-3H2,1H3,(H,11,12)
InChIKeyOLURECRNLOHPDJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.18
Rot. Bonds1

About 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid

5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid (PubChem CID 118613858) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid
PubChem CID118613858
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)nc2c1CN(O)C2
InChIInChI=1S/C7H9N3O3/c1-9-5-3-10(13)2-4(5)8-6(9)7(11)12/h13H,2-3H2,1H3,(H,11,12)
InChIKeyOLURECRNLOHPDJ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid (CID 118613858) is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid is Cn1c(C(=O)O)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid?
The InChIKey is OLURECRNLOHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-9-5-3-10(13)2-4(5)8-6(9)7(11)12/h13H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid?
5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 118613858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).