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

C10H17LiNO6PS — CID 88733205

IUPAClithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOP(=O)(CC(C)C(=O)N1CSCC1C(=O)[O-])OC.[Li+]
InChIInChI=1S/C10H18NO6PS.Li/c1-7(4-18(15,16-2)17-3)9(12)11-6-19-5-8(11)10(13)14;/h7-8H,4-6H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyZBEYKJGJILADPV-UHFFFAOYSA-M
MW317.23 g/mol
LogP-3.24
Rot. Bonds6

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

lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 88733205) has the molecular formula C10H17LiNO6PS and a molecular weight of 317.23 g/mol. Its IUPAC name is lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namelithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID88733205
Molecular FormulaC10H17LiNO6PS
Molecular Weight317.23 g/mol
Exact Mass317.07
IUPAC Namelithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOP(=O)(CC(C)C(=O)N1CSCC1C(=O)[O-])OC.[Li+]
InChIInChI=1S/C10H18NO6PS.Li/c1-7(4-18(15,16-2)17-3)9(12)11-6-19-5-8(11)10(13)14;/h7-8H,4-6H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyZBEYKJGJILADPV-UHFFFAOYSA-M
XLogP-3.24
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 5-3.24
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 lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate (CID 88733205) is lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is COP(=O)(CC(C)C(=O)N1CSCC1C(=O)[O-])OC.[Li+].
What is the InChIKey of lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is ZBEYKJGJILADPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NO6PS.Li/c1-7(4-18(15,16-2)17-3)9(12)11-6-19-5-8(11)10(13)14;/h7-8H,4-6H2,1-3H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate?
lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 317.23 g/mol, XLogP of -3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(3-dimethoxyphosphoryl-2-methylpropanoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 88733205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).