1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid

C10H11N3O5 — CID 107495736

IUPAC1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2C(=O)COCC2=O)cn1
InChIInChI=1S/C10H11N3O5/c14-8-4-18-5-9(15)13(8)2-1-12-3-7(10(16)17)11-6-12/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeySLWMLWIZDYJQKE-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.03
Rot. Bonds4

About 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid

1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid (PubChem CID 107495736) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid
PubChem CID107495736
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCN2C(=O)COCC2=O)cn1
InChIInChI=1S/C10H11N3O5/c14-8-4-18-5-9(15)13(8)2-1-12-3-7(10(16)17)11-6-12/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeySLWMLWIZDYJQKE-UHFFFAOYSA-N
XLogP-1.03
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]imidazole-4-carboxylic acid
CID 107495722
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-(2,3,3-trifluoropropyl)imidazole-4-carboxylic acid
CID 175565997
1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid
CID 107495937
1-(methylaminomethyl)imidazole-4-carboxylic acid
CID 174926083
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717027
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
1-[2-[(3-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497005
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(2-methylpropoxy)ethyl]imidazole-4-carboxylic acid
CID 106716915
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid (CID 107495736) is 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCN2C(=O)COCC2=O)cn1.
What is the InChIKey of 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid?
The InChIKey is SLWMLWIZDYJQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-8-4-18-5-9(15)13(8)2-1-12-3-7(10(16)17)11-6-12/h3,6H,1-2,4-5H2,(H,16,17).
What are the key properties of 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid?
1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dioxomorpholin-4-yl)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107495736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).