lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium

C12H20LiNO4 — CID 173378230

IUPAClithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)c1ccccc1[O-].[H-].[Li+]
InChIInChI=1S/C7H6O3.C5H14NO.Li.H/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;;/q;2*+1;-1/p-1
InChIKeySTUNMAHZSNEJNT-UHFFFAOYSA-M
MW249.24 g/mol
LogP-2.74
Rot. Bonds3

About lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium

lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium (PubChem CID 173378230) has the molecular formula C12H20LiNO4 and a molecular weight of 249.24 g/mol. Its IUPAC name is lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namelithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium
PubChem CID173378230
Molecular FormulaC12H20LiNO4
Molecular Weight249.24 g/mol
Exact Mass249.16
IUPAC Namelithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)c1ccccc1[O-].[H-].[Li+]
InChIInChI=1S/C7H6O3.C5H14NO.Li.H/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;;/q;2*+1;-1/p-1
InChIKeySTUNMAHZSNEJNT-UHFFFAOYSA-M
XLogP-2.74
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 5-2.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tris(2-carboxyphenolate);tris(2-hydroxyethyl(trimethyl)azanium)
CID 140907134
magnesium;tris(2-carboxyphenolate);2-hydroxyethyl(trimethyl)azanium;tetrahydrate
CID 68944978
lithium;2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium;sulfite
CID 54724027
2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium;sulfur dioxide
CID 70601958
magnesium;2-hydroxyethyl(trimethyl)azanium;2-oxidobenzoate
CID 131698602
dilithium bis(2-carboxyphenolate)
CID 54690284
2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
2-carboxyphenolate;hexadecyl(trimethyl)azanium;hydrate
CID 139053931
2-carboxyphenolate;trimethyl(prop-2-enyl)azanium
CID 70450706
2-carboxyphenolate;ethane;methane
CID 158005371
magnesium tris(2-carboxyphenolate)
CID 54714197
potassium 2-carboxyphenolate
CID 23689489

Frequently Asked Questions

What is the IUPAC name of lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium (CID 173378230) is lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=C(O)c1ccccc1[O-].[H-].[Li+].
What is the InChIKey of lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is STUNMAHZSNEJNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C5H14NO.Li.H/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;;/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3;;/q;2*+1;-1/p-1.
What are the key properties of lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium?
lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 249.24 g/mol, XLogP of -2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 173378230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).