2-morpholin-4-yl-1-(trioxidanyl)ethanol

C6H13NO5 — CID 58893564

IUPAC2-morpholin-4-yl-1-(trioxidanyl)ethanol
SMILESOOOC(O)CN1CCOCC1
InChIInChI=1S/C6H13NO5/c8-6(11-12-9)5-7-1-3-10-4-2-7/h6,8-9H,1-5H2
InChIKeyNZHXYNAUQOHVIV-UHFFFAOYSA-N
MW179.17 g/mol
LogP-0.94
Rot. Bonds4

About 2-morpholin-4-yl-1-(trioxidanyl)ethanol

2-morpholin-4-yl-1-(trioxidanyl)ethanol (PubChem CID 58893564) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(trioxidanyl)ethanol.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(trioxidanyl)ethanol
PubChem CID58893564
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-morpholin-4-yl-1-(trioxidanyl)ethanol
SMILESOOOC(O)CN1CCOCC1
InChIInChI=1S/C6H13NO5/c8-6(11-12-9)5-7-1-3-10-4-2-7/h6,8-9H,1-5H2
InChIKeyNZHXYNAUQOHVIV-UHFFFAOYSA-N
XLogP-0.94
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
3-methyl-1-morpholin-4-ylbut-3-en-2-ol
CID 13415301
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(trioxidanyl)ethanol?
The IUPAC name of 2-morpholin-4-yl-1-(trioxidanyl)ethanol (CID 58893564) is 2-morpholin-4-yl-1-(trioxidanyl)ethanol.
What is the SMILES notation for 2-morpholin-4-yl-1-(trioxidanyl)ethanol?
The canonical SMILES for 2-morpholin-4-yl-1-(trioxidanyl)ethanol is OOOC(O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-1-(trioxidanyl)ethanol?
The InChIKey is NZHXYNAUQOHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5/c8-6(11-12-9)5-7-1-3-10-4-2-7/h6,8-9H,1-5H2.
What are the key properties of 2-morpholin-4-yl-1-(trioxidanyl)ethanol?
2-morpholin-4-yl-1-(trioxidanyl)ethanol has a molecular weight of 179.17 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 2-morpholin-4-yl-1-(trioxidanyl)ethanol is sourced from PubChem (CID 58893564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).