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

C11H15N3O4 — CID 66135506

IUPAC3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCCn1cncc1C1C(C(=O)O)OCC(=O)N1C
InChIInChI=1S/C11H15N3O4/c1-3-14-6-12-4-7(14)9-10(11(16)17)18-5-8(15)13(9)2/h4,6,9-10H,3,5H2,1-2H3,(H,16,17)
InChIKeyZCUKDLVKGUGSPG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.11
Rot. Bonds3

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

3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid (PubChem CID 66135506) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
PubChem CID66135506
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCCn1cncc1C1C(C(=O)O)OCC(=O)N1C
InChIInChI=1S/C11H15N3O4/c1-3-14-6-12-4-7(14)9-10(11(16)17)18-5-8(15)13(9)2/h4,6,9-10H,3,5H2,1-2H3,(H,16,17)
InChIKeyZCUKDLVKGUGSPG-UHFFFAOYSA-N
XLogP-0.11
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid (CID 66135506) is 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid is CCn1cncc1C1C(C(=O)O)OCC(=O)N1C.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
The InChIKey is ZCUKDLVKGUGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-14-6-12-4-7(14)9-10(11(16)17)18-5-8(15)13(9)2/h4,6,9-10H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid?
3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 66135506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).