bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate

C14H30NO6P — CID 168835460

IUPACbis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H30NO6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)14(7,8)15-9/h15H,10H2,1-9H3
InChIKeyYCICLSJLDWOUHM-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.24
Rot. Bonds7

About bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate

bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate (PubChem CID 168835460) has the molecular formula C14H30NO6P and a molecular weight of 339.37 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate
PubChem CID168835460
Molecular FormulaC14H30NO6P
Molecular Weight339.37 g/mol
Exact Mass339.18
IUPAC Namebis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H30NO6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)14(7,8)15-9/h15H,10H2,1-9H3
InChIKeyYCICLSJLDWOUHM-UHFFFAOYSA-N
XLogP3.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate
CID 168835594
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-butoxyacetate
CID 168835459
[2,2-dimethylpropanoyloxymethoxy(2,2-dimethylpropoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 139390399
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-phenylmethoxyacetate
CID 168835403
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylamino]ethyl ditert-butyl phosphate
CID 88578447
dimethylphosphoryloxymethyl 2,2-dimethylpropanoate
CID 59034886
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
hexyl 2-methyl-2-(methylamino)propanoate
CID 62821057
ditert-butyl methylsulfonylmethyl phosphate
CID 156782919

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate (CID 168835460) is bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate is CNC(C)(C)C(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate?
The InChIKey is YCICLSJLDWOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)14(7,8)15-9/h15H,10H2,1-9H3.
What are the key properties of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate?
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate has a molecular weight of 339.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 168835460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).