methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate

C11H15O5P — CID 129384892

IUPACmethyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H15O5P/c1-14-11(12)10(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyNZISTDRXQSGLKH-JTQLQIEISA-N
MW258.21 g/mol
LogP2.39
Rot. Bonds5

About methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate

methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate (PubChem CID 129384892) has the molecular formula C11H15O5P and a molecular weight of 258.21 g/mol. Its IUPAC name is methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
PubChem CID129384892
Molecular FormulaC11H15O5P
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Namemethyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C11H15O5P/c1-14-11(12)10(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyNZISTDRXQSGLKH-JTQLQIEISA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(R)-dimethoxyphosphoryl-(4-phenylphenyl)methyl]propanedioate
CID 135764730
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
CID 11737708
methyl 2-chloro-3-phenylbutanoate
CID 62225465
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
CID 10856539
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
methyl 4-amino-2-phenylpentanoate
CID 57041145

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate?
The IUPAC name of methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate (CID 129384892) is methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate is COC(=O)[C@H](c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate?
The InChIKey is NZISTDRXQSGLKH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15O5P/c1-14-11(12)10(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate?
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate has a molecular weight of 258.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate is sourced from PubChem (CID 129384892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).