2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

C13H26NO7P — CID 134417479

IUPAC2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCOP(=O)(O)OCCOC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C13H26NO7P/c1-13(2,4-5-14-6-8-19-9-7-14)12(15)20-10-11-21-22(16,17)18-3/h4-11H2,1-3H3,(H,16,17)
InChIKeyHLKRRGMWFUWOIG-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.04
Rot. Bonds9

About 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (PubChem CID 134417479) has the molecular formula C13H26NO7P and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
PubChem CID134417479
Molecular FormulaC13H26NO7P
Molecular Weight339.33 g/mol
Exact Mass339.14
IUPAC Name2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCOP(=O)(O)OCCOC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C13H26NO7P/c1-13(2,4-5-14-6-8-19-9-7-14)12(15)20-10-11-21-22(16,17)18-3/h4-11H2,1-3H3,(H,16,17)
InChIKeyHLKRRGMWFUWOIG-UHFFFAOYSA-N
XLogP1.04
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[bis(3-methylpentan-3-yloxy)phosphoryloxy]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 139303195
(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxymethylsulfanyl-methoxyphosphinic acid
CID 145397603
2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118262907
2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118259810
2-[(2-methylpropan-2-yl)oxy-methylsulfanylphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 126560039
2-[[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxy]phosphoryl]amino]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 135276580
2-(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxyethylsulfanyl-N-methylphosphonamidous acid
CID 145237039
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-[3-methylbutoxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232921
ethane;2-[nitroso(propan-2-yloxy)phosphinoselenoyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 142489153
2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232893
methyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
CID 154067458

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The IUPAC name of 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (CID 134417479) is 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.
What is the SMILES notation for 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The canonical SMILES for 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is COP(=O)(O)OCCOC(=O)C(C)(C)CCN1CCOCC1.
What is the InChIKey of 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The InChIKey is HLKRRGMWFUWOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO7P/c1-13(2,4-5-14-6-8-19-9-7-14)12(15)20-10-11-21-22(16,17)18-3/h4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate has a molecular weight of 339.33 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 134417479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).