azanium;lithium;butanedioate

C4H8LiNO4 — CID 18352245

IUPACazanium;lithium;butanedioate
SMILESO=C([O-])CCC(=O)[O-].[Li+].[NH4+]
InChIInChI=1S/C4H6O4.Li.H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;1H3/q;+1;/p-1
InChIKeyAVOXSDYQTLQGIB-UHFFFAOYSA-M
MW141.05 g/mol
LogP-5.35
Rot. Bonds3

About azanium;lithium;butanedioate

azanium;lithium;butanedioate (PubChem CID 18352245) has the molecular formula C4H8LiNO4 and a molecular weight of 141.05 g/mol. Its IUPAC name is azanium;lithium;butanedioate.

Molecular Properties

Compound Nameazanium;lithium;butanedioate
PubChem CID18352245
Molecular FormulaC4H8LiNO4
Molecular Weight141.05 g/mol
Exact Mass141.06
IUPAC Nameazanium;lithium;butanedioate
SMILESO=C([O-])CCC(=O)[O-].[Li+].[NH4+]
InChIInChI=1S/C4H6O4.Li.H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;1H3/q;+1;/p-1
InChIKeyAVOXSDYQTLQGIB-UHFFFAOYSA-M
XLogP-5.35
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.05
LogP ≤ 5-5.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 88814404
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CID 10236089
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Frequently Asked Questions

What is the IUPAC name of azanium;lithium;butanedioate?
The IUPAC name of azanium;lithium;butanedioate (CID 18352245) is azanium;lithium;butanedioate.
What is the SMILES notation for azanium;lithium;butanedioate?
The canonical SMILES for azanium;lithium;butanedioate is O=C([O-])CCC(=O)[O-].[Li+].[NH4+].
What is the InChIKey of azanium;lithium;butanedioate?
The InChIKey is AVOXSDYQTLQGIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O4.Li.H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;1H3/q;+1;/p-1.
What are the key properties of azanium;lithium;butanedioate?
azanium;lithium;butanedioate has a molecular weight of 141.05 g/mol, XLogP of -5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;lithium;butanedioate is sourced from PubChem (CID 18352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).