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

C7H11N3O4 — CID 82469457

IUPAC5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-14-3-2-10-4(6(11)12)5(8)9-7(10)13/h2-3,8H2,1H3,(H,9,13)(H,11,12)
InChIKeyQUOSLXAMCUYGKD-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.90
Rot. Bonds4

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

5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid (PubChem CID 82469457) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
PubChem CID82469457
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
SMILESCOCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C7H11N3O4/c1-14-3-2-10-4(6(11)12)5(8)9-7(10)13/h2-3,8H2,1H3,(H,9,13)(H,11,12)
InChIKeyQUOSLXAMCUYGKD-UHFFFAOYSA-N
XLogP-0.90
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 98014619
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
CID 82470977
5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
CID 82487412
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
CID 82465398
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 62517996
6-amino-1-(2-methoxyethyl)-5-[2-(3-methylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 24564922
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-5-[2-(2-azaspiro[4.5]decan-2-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 75512216

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid (CID 82469457) is 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid is COCCn1c(C(=O)O)c(N)[nH]c1=O.
What is the InChIKey of 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid?
The InChIKey is QUOSLXAMCUYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-14-3-2-10-4(6(11)12)5(8)9-7(10)13/h2-3,8H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid?
5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82469457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).