4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid

C12H19N3O3 — CID 122570187

IUPAC4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1nc(CN2CCOC(C(=O)O)C2)n(C)c1C
InChIInChI=1S/C12H19N3O3/c1-8-9(2)14(3)11(13-8)7-15-4-5-18-10(6-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyXCQFMYOZTKZJGP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.32
Rot. Bonds3

About 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid

4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 122570187) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
PubChem CID122570187
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1nc(CN2CCOC(C(=O)O)C2)n(C)c1C
InChIInChI=1S/C12H19N3O3/c1-8-9(2)14(3)11(13-8)7-15-4-5-18-10(6-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyXCQFMYOZTKZJGP-UHFFFAOYSA-N
XLogP0.32
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 122560972
(4aS,8aS)-1-methyl-7-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134713383
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 107078251
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid (CID 122570187) is 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid is Cc1nc(CN2CCOC(C(=O)O)C2)n(C)c1C.
What is the InChIKey of 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is XCQFMYOZTKZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-9(2)14(3)11(13-8)7-15-4-5-18-10(6-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid?
4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 122570187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).