[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C12H20N4O3 — CID 107499354

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H20N4O3/c1-9-7-19-10(6-17)4-16(9)12(18)11-5-15(3-2-13)8-14-11/h5,8-10,17H,2-4,6-7,13H2,1H3
InChIKeyURAZITJJVWHXAN-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.94
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 107499354) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID107499354
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H20N4O3/c1-9-7-19-10(6-17)4-16(9)12(18)11-5-15(3-2-13)8-14-11/h5,8-10,17H,2-4,6-7,13H2,1H3
InChIKeyURAZITJJVWHXAN-UHFFFAOYSA-N
XLogP-0.94
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
[1-(2-aminoethyl)imidazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107499855
(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203507
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107376366
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 81208343
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203292
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97329931

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 107499354) is [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cn(CCN)cn1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is URAZITJJVWHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9-7-19-10(6-17)4-16(9)12(18)11-5-15(3-2-13)8-14-11/h5,8-10,17H,2-4,6-7,13H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 107499354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).