ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate

C14H26NO6PS — CID 88733883

IUPACethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(OCC)OCC
InChIInChI=1S/C14H26NO6PS/c1-5-19-14(17)12-9-23-10-15(12)13(16)11(4)8-22(18,20-6-2)21-7-3/h11-12H,5-10H2,1-4H3
InChIKeyLVNXNUOYJCFLMX-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.35
Rot. Bonds9

About ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate

ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 88733883) has the molecular formula C14H26NO6PS and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID88733883
Molecular FormulaC14H26NO6PS
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Nameethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(OCC)OCC
InChIInChI=1S/C14H26NO6PS/c1-5-19-14(17)12-9-23-10-15(12)13(16)11(4)8-22(18,20-6-2)21-7-3/h11-12H,5-10H2,1-4H3
InChIKeyLVNXNUOYJCFLMX-UHFFFAOYSA-N
XLogP2.35
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.35
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 ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (CID 88733883) is ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(OCC)OCC.
What is the InChIKey of ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is LVNXNUOYJCFLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO6PS/c1-5-19-14(17)12-9-23-10-15(12)13(16)11(4)8-22(18,20-6-2)21-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-diethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 88733883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).