lithium 2-ethenoxyacetate

C4H5LiO3 — CID 172773108

IUPAClithium 2-ethenoxyacetate
SMILESC=COCC(=O)[O-].[Li+]
InChIInChI=1S/C4H6O3.Li/c1-2-7-3-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1
InChIKeyNFMKNMFUUBKGRQ-UHFFFAOYSA-M
MW108.02 g/mol
LogP-4.10
Rot. Bonds3

About lithium 2-ethenoxyacetate

lithium 2-ethenoxyacetate (PubChem CID 172773108) has the molecular formula C4H5LiO3 and a molecular weight of 108.02 g/mol. Its IUPAC name is lithium 2-ethenoxyacetate.

Molecular Properties

Compound Namelithium 2-ethenoxyacetate
PubChem CID172773108
Molecular FormulaC4H5LiO3
Molecular Weight108.02 g/mol
Exact Mass108.04
IUPAC Namelithium 2-ethenoxyacetate
SMILESC=COCC(=O)[O-].[Li+]
InChIInChI=1S/C4H6O3.Li/c1-2-7-3-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1
InChIKeyNFMKNMFUUBKGRQ-UHFFFAOYSA-M
XLogP-4.10
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.02
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze lithium 2-ethenoxyacetate with MolForge

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

Launch Full Analysis

Related Compounds

4-ethenoxybutanoate
CID 23167560
2-prop-2-enoxyacetate
CID 19028340
1-ethenoxypentane-2,4-dione
CID 71416882
barium(2+);bis(2-methoxyacetate)
CID 88657250
2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
CID 122174185
diazanium;prop-1-ene;diacetate
CID 159968490
magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
ethenoxymethyl hydrogen carbonate
CID 118689844
disodium bis(2-sulfooxyacetate)
CID 173459590
2-methoxyacetate;1-methyl-1-prop-2-enylpyrrolidin-1-ium
CID 118645014
1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
oxetan-3-yl 2-ethenoxyacetate
CID 20688892

Frequently Asked Questions

What is the IUPAC name of lithium 2-ethenoxyacetate?
The IUPAC name of lithium 2-ethenoxyacetate (CID 172773108) is lithium 2-ethenoxyacetate.
What is the SMILES notation for lithium 2-ethenoxyacetate?
The canonical SMILES for lithium 2-ethenoxyacetate is C=COCC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-ethenoxyacetate?
The InChIKey is NFMKNMFUUBKGRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O3.Li/c1-2-7-3-4(5)6;/h2H,1,3H2,(H,5,6);/q;+1/p-1.
What are the key properties of lithium 2-ethenoxyacetate?
lithium 2-ethenoxyacetate has a molecular weight of 108.02 g/mol, XLogP of -4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethenoxyacetate is sourced from PubChem (CID 172773108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).