sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury

C13H15HgNNaO5 — CID 175845123

IUPACsodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
SMILESCOC(C[Hg])CNC(=O)c1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C13H16NO5.Hg.Na/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;/q;;+1/p-1
InChIKeyYQZVCVFBCWNKAQ-UHFFFAOYSA-M
MW488.85 g/mol
LogP-3.47
Rot. Bonds8

About sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury

sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury (PubChem CID 175845123) has the molecular formula C13H15HgNNaO5 and a molecular weight of 488.85 g/mol. Its IUPAC name is sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury.

Molecular Properties

Compound Namesodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
PubChem CID175845123
Molecular FormulaC13H15HgNNaO5
Molecular Weight488.85 g/mol
Exact Mass490.06
IUPAC Namesodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
SMILESCOC(C[Hg])CNC(=O)c1ccccc1OCC(=O)[O-].[Na+]
InChIInChI=1S/C13H16NO5.Hg.Na/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;/q;;+1/p-1
InChIKeyYQZVCVFBCWNKAQ-UHFFFAOYSA-M
XLogP-3.47
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.85
LogP ≤ 5-3.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury;1,3-dimethyl-7H-purine-2,6-dione;hydrate
CID 25200259
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
CID 6455484
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
CID 25199594
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
CID 23182615
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
CID 23182614
sodium 2-(2-methylphenoxy)acetate
CID 23664336
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789

Frequently Asked Questions

What is the IUPAC name of sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury?
The IUPAC name of sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury (CID 175845123) is sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury.
What is the SMILES notation for sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury?
The canonical SMILES for sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury is COC(C[Hg])CNC(=O)c1ccccc1OCC(=O)[O-].[Na+].
What is the InChIKey of sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury?
The InChIKey is YQZVCVFBCWNKAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16NO5.Hg.Na/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;/q;;+1/p-1.
What are the key properties of sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury?
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury has a molecular weight of 488.85 g/mol, XLogP of -3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury is sourced from PubChem (CID 175845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).