methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate

C11H20NO6PS — CID 88735269

IUPACmethyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(OC)OC
InChIInChI=1S/C11H20NO6PS/c1-8(5-19(15,17-3)18-4)10(13)12-7-20-6-9(12)11(14)16-2/h8-9H,5-7H2,1-4H3
InChIKeyGAGHSEYNESPWNC-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.18
Rot. Bonds6

About methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate

methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 88735269) has the molecular formula C11H20NO6PS and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID88735269
Molecular FormulaC11H20NO6PS
Molecular Weight325.32 g/mol
Exact Mass325.07
IUPAC Namemethyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(OC)OC
InChIInChI=1S/C11H20NO6PS/c1-8(5-19(15,17-3)18-4)10(13)12-7-20-6-9(12)11(14)16-2/h8-9H,5-7H2,1-4H3
InChIKeyGAGHSEYNESPWNC-UHFFFAOYSA-N
XLogP1.18
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (CID 88735269) is methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)C(C)CP(=O)(OC)OC.
What is the InChIKey of methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is GAGHSEYNESPWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO6PS/c1-8(5-19(15,17-3)18-4)10(13)12-7-20-6-9(12)11(14)16-2/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 88735269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).