bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium

C14H22BiNO6+4 — CID 88801440

IUPACbismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)COC(=O)c1ccccc1O.[Bi+3]
InChIInChI=1S/C9H8O5.C5H14NO.Bi/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12;1-6(2,3)4-5-7;/h1-4,10H,5H2,(H,11,12);7H,4-5H2,1-3H3;/q;+1;+3
InChIKeyHPQPRJHHQYCXTQ-UHFFFAOYSA-N
MW509.31 g/mol
LogP-0.06
Rot. Bonds5

About bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium

bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium (PubChem CID 88801440) has the molecular formula C14H22BiNO6+4 and a molecular weight of 509.31 g/mol. Its IUPAC name is bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namebismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium
PubChem CID88801440
Molecular FormulaC14H22BiNO6+4
Molecular Weight509.31 g/mol
Exact Mass509.12
IUPAC Namebismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)COC(=O)c1ccccc1O.[Bi+3]
InChIInChI=1S/C9H8O5.C5H14NO.Bi/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12;1-6(2,3)4-5-7;/h1-4,10H,5H2,(H,11,12);7H,4-5H2,1-3H3;/q;+1;+3
InChIKeyHPQPRJHHQYCXTQ-UHFFFAOYSA-N
XLogP-0.06
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium 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

2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium
CID 172995002
CID 66765974
CID 66765974
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
CID 24836782
2-acetyloxybenzoic acid;2-aminoacetic acid;2-hydroxyethyl(trimethyl)azanium
CID 121364923
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
CID 175051749
magnesium;tris(2-carboxyphenolate);2-hydroxyethyl(trimethyl)azanium;tetrahydrate
CID 68944978
lithium;2-carboxyphenolate;hydride;2-hydroxyethyl(trimethyl)azanium
CID 173378230
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754

Frequently Asked Questions

What is the IUPAC name of bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium (CID 88801440) is bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=C(O)COC(=O)c1ccccc1O.[Bi+3].
What is the InChIKey of bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is HPQPRJHHQYCXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5.C5H14NO.Bi/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12;1-6(2,3)4-5-7;/h1-4,10H,5H2,(H,11,12);7H,4-5H2,1-3H3;/q;+1;+3.
What are the key properties of bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium?
bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 509.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 88801440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).