methyl (2S)-2-dimethoxyphosphorylpropanoate

C6H13O5P — CID 124577703

IUPACmethyl (2S)-2-dimethoxyphosphorylpropanoate
SMILESCOC(=O)[C@H](C)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3/t5-/m0/s1
InChIKeySTYUEUAAPQZSTL-YFKPBYRVSA-N
MW196.14 g/mol
LogP1.03
Rot. Bonds4

About methyl (2S)-2-dimethoxyphosphorylpropanoate

methyl (2S)-2-dimethoxyphosphorylpropanoate (PubChem CID 124577703) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is methyl (2S)-2-dimethoxyphosphorylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-dimethoxyphosphorylpropanoate
PubChem CID124577703
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Namemethyl (2S)-2-dimethoxyphosphorylpropanoate
SMILESCOC(=O)[C@H](C)P(=O)(OC)OC
InChIInChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3/t5-/m0/s1
InChIKeySTYUEUAAPQZSTL-YFKPBYRVSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-dimethoxyphosphorylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564
methyl 2-dimethoxyphosphoryl-2-formamidoacetate
CID 14840773
2-dimethoxyphosphorylheptan-3-one
CID 57262784
1-dimethoxyphosphoryl-1-methoxypropan-2-one
CID 87461484
(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160
1-chloro-1-dimethoxyphosphorylpropan-2-one
CID 22399756
methyl 2-diazenyl-2-dimethoxyphosphorylacetate
CID 174673364
3-dimethoxyphosphoryl-2-methylidenebutanenitrile
CID 23048530
methyl 2-aminopropanoate
CID 159707893
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-dimethoxyphosphorylpropanoate?
The IUPAC name of methyl (2S)-2-dimethoxyphosphorylpropanoate (CID 124577703) is methyl (2S)-2-dimethoxyphosphorylpropanoate.
What is the SMILES notation for methyl (2S)-2-dimethoxyphosphorylpropanoate?
The canonical SMILES for methyl (2S)-2-dimethoxyphosphorylpropanoate is COC(=O)[C@H](C)P(=O)(OC)OC.
What is the InChIKey of methyl (2S)-2-dimethoxyphosphorylpropanoate?
The InChIKey is STYUEUAAPQZSTL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-dimethoxyphosphorylpropanoate?
methyl (2S)-2-dimethoxyphosphorylpropanoate has a molecular weight of 196.14 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-dimethoxyphosphorylpropanoate is sourced from PubChem (CID 124577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).