1-aminoimidazole-2,4-dicarboxylic acid

C5H5N3O4 — CID 174157581

IUPAC1-aminoimidazole-2,4-dicarboxylic acid
SMILESNn1cc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C5H5N3O4/c6-8-1-2(4(9)10)7-3(8)5(11)12/h1H,6H2,(H,9,10)(H,11,12)
InChIKeyIOKIUPRZBGLFJW-UHFFFAOYSA-N
MW171.11 g/mol
LogP-1.01
Rot. Bonds2

About 1-aminoimidazole-2,4-dicarboxylic acid

1-aminoimidazole-2,4-dicarboxylic acid (PubChem CID 174157581) has the molecular formula C5H5N3O4 and a molecular weight of 171.11 g/mol. Its IUPAC name is 1-aminoimidazole-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-aminoimidazole-2,4-dicarboxylic acid
PubChem CID174157581
Molecular FormulaC5H5N3O4
Molecular Weight171.11 g/mol
Exact Mass171.03
IUPAC Name1-aminoimidazole-2,4-dicarboxylic acid
SMILESNn1cc(C(=O)O)nc1C(=O)O
InChIInChI=1S/C5H5N3O4/c6-8-1-2(4(9)10)7-3(8)5(11)12/h1H,6H2,(H,9,10)(H,11,12)
InChIKeyIOKIUPRZBGLFJW-UHFFFAOYSA-N
XLogP-1.01
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-amino-1-methylimidazole-2-carboxylic acid
CID 4635498
lithium;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydride
CID 174674138
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 56965726
pyrazine-2,6-dicarboxylic acid
CID 11601391
1-amino-5-methylpyrazole-3-carboxylic acid
CID 22099274
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
4,5-diamino-1,2,4-triazole-3-carboxylic acid
CID 130847623
(4-carboxyimidazol-1-yl)thallium
CID 147472653
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
5,8-dihydroimidazo[1,2-a]pyrazine-2-carboxylic acid
CID 176761340
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499

Frequently Asked Questions

What is the IUPAC name of 1-aminoimidazole-2,4-dicarboxylic acid?
The IUPAC name of 1-aminoimidazole-2,4-dicarboxylic acid (CID 174157581) is 1-aminoimidazole-2,4-dicarboxylic acid.
What is the SMILES notation for 1-aminoimidazole-2,4-dicarboxylic acid?
The canonical SMILES for 1-aminoimidazole-2,4-dicarboxylic acid is Nn1cc(C(=O)O)nc1C(=O)O.
What is the InChIKey of 1-aminoimidazole-2,4-dicarboxylic acid?
The InChIKey is IOKIUPRZBGLFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4/c6-8-1-2(4(9)10)7-3(8)5(11)12/h1H,6H2,(H,9,10)(H,11,12).
What are the key properties of 1-aminoimidazole-2,4-dicarboxylic acid?
1-aminoimidazole-2,4-dicarboxylic acid has a molecular weight of 171.11 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoimidazole-2,4-dicarboxylic acid is sourced from PubChem (CID 174157581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).