[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)

C15H20HgNO6+ — CID 23182615

IUPAC[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
SMILESCOCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C15H20NO6.Hg/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);/q;+1
InChIKeyHOYXNJIDDSNBQN-UHFFFAOYSA-N
MW510.92 g/mol
LogP0.88
Rot. Bonds11

About [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+) (PubChem CID 23182615) has the molecular formula C15H20HgNO6+ and a molecular weight of 510.92 g/mol. Its IUPAC name is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+).

Molecular Properties

Compound Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
PubChem CID23182615
Molecular FormulaC15H20HgNO6+
Molecular Weight510.92 g/mol
Exact Mass512.10
IUPAC Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
SMILESCOCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C15H20NO6.Hg/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);/q;+1
InChIKeyHOYXNJIDDSNBQN-UHFFFAOYSA-N
XLogP0.88
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.92
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
CID 6455484
2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
CID 23182614
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
CID 25199594
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
CID 175845123
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 47366118
2-[2-(dimethylamino)-2-oxoethoxy]-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447084
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)?
The IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+) (CID 23182615) is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+).
What is the SMILES notation for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)?
The canonical SMILES for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+) is COCCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O.
What is the InChIKey of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)?
The InChIKey is HOYXNJIDDSNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO6.Hg/c1-11(21-8-7-20-2)9-16-15(19)12-5-3-4-6-13(12)22-10-14(17)18;/h3-6,11H,1,7-10H2,2H3,(H,16,19)(H,17,18);/q;+1.
What are the key properties of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)?
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+) has a molecular weight of 510.92 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+) is sourced from PubChem (CID 23182615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).