5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid

C9H15N3O4 — CID 98014619

IUPAC5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCCOCCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C9H15N3O4/c1-2-16-5-3-4-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyFAKVHVRGVXBKHZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.12
Rot. Bonds6

About 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid

5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 98014619) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID98014619
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCCOCCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C9H15N3O4/c1-2-16-5-3-4-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyFAKVHVRGVXBKHZ-UHFFFAOYSA-N
XLogP-0.12
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82469457
3-(3-ethoxypropyl)-6-methyl-1H-benzimidazol-2-one
CID 139627865
6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 82943721
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
ethyl 4-(3-ethoxypropyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231513
5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 63801121
5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479729
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-(2-ethoxyethyl)-3-(3-triethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 165160455
2-[[4-(3-ethoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075420
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 98014619) is 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid is CCOCCCn1c(C(=O)O)c(N)[nH]c1=O.
What is the InChIKey of 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is FAKVHVRGVXBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-2-16-5-3-4-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid?
5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 98014619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).