[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium

C9H17N2O5+ — CID 123846224

IUPAC[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium
SMILESCC(C)(C)O[N+](=O)C(O)C1OCCNC1=O
InChIInChI=1S/C9H16N2O5/c1-9(2,3)16-11(14)8(13)6-7(12)10-4-5-15-6/h6,8,13H,4-5H2,1-3H3/p+1
InChIKeyLHNLNPZAVKTOGL-UHFFFAOYSA-O
MW233.24 g/mol
LogP-0.67
Rot. Bonds3

About [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium

[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium (PubChem CID 123846224) has the molecular formula C9H17N2O5+ and a molecular weight of 233.24 g/mol. Its IUPAC name is [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium.

Molecular Properties

Compound Name[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium
PubChem CID123846224
Molecular FormulaC9H17N2O5+
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium
SMILESCC(C)(C)O[N+](=O)C(O)C1OCCNC1=O
InChIInChI=1S/C9H16N2O5/c1-9(2,3)16-11(14)8(13)6-7(12)10-4-5-15-6/h6,8,13H,4-5H2,1-3H3/p+1
InChIKeyLHNLNPZAVKTOGL-UHFFFAOYSA-O
XLogP-0.67
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoyl]morpholin-3-one
CID 123270771
2-hydroxymorpholin-3-one
CID 56625144
2-tert-butyl-1,4-oxazepan-3-one
CID 175813772
3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one;phosphoric acid
CID 158341162
2-methoxypropane;1,3-oxazolidin-2-one
CID 177227650
(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 58058025
ethane;2-methoxypropane;1,3-oxazolidin-2-one
CID 177227287
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
CID 83670569
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
3-trimethylsilylpiperidin-2-one
CID 46210483
(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 175917702

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium?
The IUPAC name of [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium (CID 123846224) is [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium.
What is the SMILES notation for [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium?
The canonical SMILES for [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium is CC(C)(C)O[N+](=O)C(O)C1OCCNC1=O.
What is the InChIKey of [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium?
The InChIKey is LHNLNPZAVKTOGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2O5/c1-9(2,3)16-11(14)8(13)6-7(12)10-4-5-15-6/h6,8,13H,4-5H2,1-3H3/p+1.
What are the key properties of [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium?
[hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium has a molecular weight of 233.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(3-oxomorpholin-2-yl)methyl]-[(2-methylpropan-2-yl)oxy]-oxoazanium is sourced from PubChem (CID 123846224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).