2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid

C11H16BrN3O3 — CID 84744613

IUPAC2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
SMILESCc1nc(Br)c(C(C(=O)O)N2CCOCC2)n1C
InChIInChI=1S/C11H16BrN3O3/c1-7-13-10(12)8(14(7)2)9(11(16)17)15-3-5-18-6-4-15/h9H,3-6H2,1-2H3,(H,16,17)
InChIKeyYAIPVPWGTBBXLX-UHFFFAOYSA-N
MW318.17 g/mol
LogP0.95
Rot. Bonds3

About 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid

2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid (PubChem CID 84744613) has the molecular formula C11H16BrN3O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
PubChem CID84744613
Molecular FormulaC11H16BrN3O3
Molecular Weight318.17 g/mol
Exact Mass317.04
IUPAC Name2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
SMILESCc1nc(Br)c(C(C(=O)O)N2CCOCC2)n1C
InChIInChI=1S/C11H16BrN3O3/c1-7-13-10(12)8(14(7)2)9(11(16)17)15-3-5-18-6-4-15/h9H,3-6H2,1-2H3,(H,16,17)
InChIKeyYAIPVPWGTBBXLX-UHFFFAOYSA-N
XLogP0.95
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
CID 84743174
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
CID 84742598
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
CID 54595982
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745344
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 110244382
2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 66141667
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745183
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid (CID 84744613) is 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid is Cc1nc(Br)c(C(C(=O)O)N2CCOCC2)n1C.
What is the InChIKey of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is YAIPVPWGTBBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3/c1-7-13-10(12)8(14(7)2)9(11(16)17)15-3-5-18-6-4-15/h9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 318.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 84744613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).