4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid

C10H13N3O4 — CID 66117906

IUPAC4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
SMILESCN1C(=O)COC(C(=O)O)C1c1cncn1C
InChIInChI=1S/C10H13N3O4/c1-12-5-11-3-6(12)8-9(10(15)16)17-4-7(14)13(8)2/h3,5,8-9H,4H2,1-2H3,(H,15,16)
InChIKeyXQUVQCHYMZKDTK-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.60
Rot. Bonds2

About 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid

4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid (PubChem CID 66117906) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
PubChem CID66117906
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
SMILESCN1C(=O)COC(C(=O)O)C1c1cncn1C
InChIInChI=1S/C10H13N3O4/c1-12-5-11-3-6(12)8-9(10(15)16)17-4-7(14)13(8)2/h3,5,8-9H,4H2,1-2H3,(H,15,16)
InChIKeyXQUVQCHYMZKDTK-UHFFFAOYSA-N
XLogP-0.60
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 66135506
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114557644
4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 66118126
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272
3-(5-fluoro-2-methylphenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114075912
3-(2-cyanophenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114018048
2-(3-methylimidazol-4-yl)oxolane-3-carboxylic acid
CID 79367840
2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
CID 122236347
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
CID 82021564
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 167918170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid (CID 66117906) is 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid is CN1C(=O)COC(C(=O)O)C1c1cncn1C.
What is the InChIKey of 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid?
The InChIKey is XQUVQCHYMZKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12-5-11-3-6(12)8-9(10(15)16)17-4-7(14)13(8)2/h3,5,8-9H,4H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid?
4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 66117906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).