4-(carbamoylamino)-1H-imidazole-5-carboxylic acid

C5H6N4O3 — CID 155

IUPAC4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
SMILESNC(=O)Nc1nc[nH]c1C(=O)O
InChIInChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)
InChIKeyPQSKWIHIUOGLHX-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.40
Rot. Bonds2

About 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid

4-(carbamoylamino)-1H-imidazole-5-carboxylic acid (PubChem CID 155) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
PubChem CID155
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
SMILESNC(=O)Nc1nc[nH]c1C(=O)O
InChIInChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)
InChIKeyPQSKWIHIUOGLHX-UHFFFAOYSA-N
XLogP-0.40
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid (CID 155) is 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid is NC(=O)Nc1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid?
The InChIKey is PQSKWIHIUOGLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12).
What are the key properties of 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid?
4-(carbamoylamino)-1H-imidazole-5-carboxylic acid has a molecular weight of 170.13 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).