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

C6H7N3O4 — CID 58375522

IUPAC4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid
SMILESCOC(=O)Nc1nc[nH]c1C(=O)O
InChIInChI=1S/C6H7N3O4/c1-13-6(12)9-4-3(5(10)11)7-2-8-4/h2H,1H3,(H,7,8)(H,9,12)(H,10,11)
InChIKeyYLEMSPOTISCKIK-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.29
Rot. Bonds2

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

4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid (PubChem CID 58375522) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid
PubChem CID58375522
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid
SMILESCOC(=O)Nc1nc[nH]c1C(=O)O
InChIInChI=1S/C6H7N3O4/c1-13-6(12)9-4-3(5(10)11)7-2-8-4/h2H,1H3,(H,7,8)(H,9,12)(H,10,11)
InChIKeyYLEMSPOTISCKIK-UHFFFAOYSA-N
XLogP0.29
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid (CID 58375522) is 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid is COC(=O)Nc1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid?
The InChIKey is YLEMSPOTISCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-13-6(12)9-4-3(5(10)11)7-2-8-4/h2H,1H3,(H,7,8)(H,9,12)(H,10,11).
What are the key properties of 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid?
4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid has a molecular weight of 185.14 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxycarbonylamino)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 58375522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).