lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate

C6H3ClLiNO3S — CID 58893643

IUPAClithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate
SMILESO=C([O-])C(=O)Nc1ccc(Cl)s1.[Li+]
InChIInChI=1S/C6H4ClNO3S.Li/c7-3-1-2-4(12-3)8-5(9)6(10)11;/h1-2H,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyXTXGBFDLXWXZIR-UHFFFAOYSA-M
MW211.56 g/mol
LogP-2.91
Rot. Bonds1

About lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate

lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate (PubChem CID 58893643) has the molecular formula C6H3ClLiNO3S and a molecular weight of 211.56 g/mol. Its IUPAC name is lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namelithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate
PubChem CID58893643
Molecular FormulaC6H3ClLiNO3S
Molecular Weight211.56 g/mol
Exact Mass210.97
IUPAC Namelithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate
SMILESO=C([O-])C(=O)Nc1ccc(Cl)s1.[Li+]
InChIInChI=1S/C6H4ClNO3S.Li/c7-3-1-2-4(12-3)8-5(9)6(10)11;/h1-2H,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyXTXGBFDLXWXZIR-UHFFFAOYSA-M
XLogP-2.91
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.56
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate?
The IUPAC name of lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate (CID 58893643) is lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate?
The canonical SMILES for lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate is O=C([O-])C(=O)Nc1ccc(Cl)s1.[Li+].
What is the InChIKey of lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate?
The InChIKey is XTXGBFDLXWXZIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4ClNO3S.Li/c7-3-1-2-4(12-3)8-5(9)6(10)11;/h1-2H,(H,8,9)(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate?
lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate has a molecular weight of 211.56 g/mol, XLogP of -2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(5-chlorothiophen-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 58893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).