1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid

C12H20N4O4 — CID 114777344

IUPAC1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
SMILESCC1(C)CN(CCn2cc(C(=O)O)nn2)CC(CO)O1
InChIInChI=1S/C12H20N4O4/c1-12(2)8-15(5-9(7-17)20-12)3-4-16-6-10(11(18)19)13-14-16/h6,9,17H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyPREJJMUKPZEDHU-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.55
Rot. Bonds5

About 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid

1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid (PubChem CID 114777344) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
PubChem CID114777344
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid
SMILESCC1(C)CN(CCn2cc(C(=O)O)nn2)CC(CO)O1
InChIInChI=1S/C12H20N4O4/c1-12(2)8-15(5-9(7-17)20-12)3-4-16-6-10(11(18)19)13-14-16/h6,9,17H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyPREJJMUKPZEDHU-UHFFFAOYSA-N
XLogP-0.55
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
CID 114781911
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693
5-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-1-methylpyrazole-4-carboxylic acid
CID 114777296
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779993
1-[2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]triazole-4-carboxylic acid
CID 113399291

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid (CID 114777344) is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid is CC1(C)CN(CCn2cc(C(=O)O)nn2)CC(CO)O1.
What is the InChIKey of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid?
The InChIKey is PREJJMUKPZEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2)8-15(5-9(7-17)20-12)3-4-16-6-10(11(18)19)13-14-16/h6,9,17H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid?
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 114777344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).