5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid

C6H7N3O3 — CID 118613810

IUPAC5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c([nH]1)CN(O)C2
InChIInChI=1S/C6H7N3O3/c10-6(11)5-7-3-1-9(12)2-4(3)8-5/h12H,1-2H2,(H,7,8)(H,10,11)
InChIKeyOGZHRAJFCFZNFZ-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.19
Rot. Bonds1

About 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid

5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid (PubChem CID 118613810) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
PubChem CID118613810
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c([nH]1)CN(O)C2
InChIInChI=1S/C6H7N3O3/c10-6(11)5-7-3-1-9(12)2-4(3)8-5/h12H,1-2H2,(H,7,8)(H,10,11)
InChIKeyOGZHRAJFCFZNFZ-UHFFFAOYSA-N
XLogP-0.19
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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CID 82416997
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid (CID 118613810) is 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid is O=C(O)c1nc2c([nH]1)CN(O)C2.
What is the InChIKey of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
The InChIKey is OGZHRAJFCFZNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-6(11)5-7-3-1-9(12)2-4(3)8-5/h12H,1-2H2,(H,7,8)(H,10,11).
What are the key properties of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid?
5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid is sourced from PubChem (CID 118613810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).