lithium 2-(oxidoamino)ethyl acetate

C4H8LiNO3 — CID 161258849

IUPAClithium 2-(oxidoamino)ethyl acetate
SMILESCC(=O)OCCN[O-].[Li+]
InChIInChI=1S/C4H8NO3.Li/c1-4(6)8-3-2-5-7;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyUTZIAILUIQAGFR-UHFFFAOYSA-N
MW125.05 g/mol
LogP-3.36
Rot. Bonds3

About lithium 2-(oxidoamino)ethyl acetate

lithium 2-(oxidoamino)ethyl acetate (PubChem CID 161258849) has the molecular formula C4H8LiNO3 and a molecular weight of 125.05 g/mol. Its IUPAC name is lithium 2-(oxidoamino)ethyl acetate.

Molecular Properties

Compound Namelithium 2-(oxidoamino)ethyl acetate
PubChem CID161258849
Molecular FormulaC4H8LiNO3
Molecular Weight125.05 g/mol
Exact Mass125.07
IUPAC Namelithium 2-(oxidoamino)ethyl acetate
SMILESCC(=O)OCCN[O-].[Li+]
InChIInChI=1S/C4H8NO3.Li/c1-4(6)8-3-2-5-7;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyUTZIAILUIQAGFR-UHFFFAOYSA-N
XLogP-3.36
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.05
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(acetyloxymethylamino)ethyl acetate
CID 87473445
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
2-(methylsulfanylcarbonylamino)ethyl acetate
CID 123611249
3-(2-acetyloxyethylamino)propane-1-sulfonic acid
CID 12643429
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
11-acetyloxyundecyl acetate
CID 87784419
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-isocyanatoethyl acetate
CID 13135080
3-(ethylamino)propyl acetate
CID 88999125
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
CID 158105337
CID 158105337
propyl acetate;hydrate
CID 122690555

Frequently Asked Questions

What is the IUPAC name of lithium 2-(oxidoamino)ethyl acetate?
The IUPAC name of lithium 2-(oxidoamino)ethyl acetate (CID 161258849) is lithium 2-(oxidoamino)ethyl acetate.
What is the SMILES notation for lithium 2-(oxidoamino)ethyl acetate?
The canonical SMILES for lithium 2-(oxidoamino)ethyl acetate is CC(=O)OCCN[O-].[Li+].
What is the InChIKey of lithium 2-(oxidoamino)ethyl acetate?
The InChIKey is UTZIAILUIQAGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO3.Li/c1-4(6)8-3-2-5-7;/h5H,2-3H2,1H3;/q-1;+1.
What are the key properties of lithium 2-(oxidoamino)ethyl acetate?
lithium 2-(oxidoamino)ethyl acetate has a molecular weight of 125.05 g/mol, XLogP of -3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(oxidoamino)ethyl acetate is sourced from PubChem (CID 161258849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).