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

C13H16HgNO5+ — CID 6455484

IUPAC[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
SMILESCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C13H16NO5.Hg/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
InChIKeyVTCIJZPATSUMJC-UHFFFAOYSA-N
MW466.86 g/mol
LogP0.86
Rot. Bonds8

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

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) (PubChem CID 6455484) has the molecular formula C13H16HgNO5+ and a molecular weight of 466.86 g/mol. Its IUPAC name is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+).

Molecular Properties

Compound Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
PubChem CID6455484
Molecular FormulaC13H16HgNO5+
Molecular Weight466.86 g/mol
Exact Mass468.07
IUPAC Name[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)
SMILESCOC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C13H16NO5.Hg/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
InChIKeyVTCIJZPATSUMJC-UHFFFAOYSA-N
XLogP0.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.86
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-(carboxymethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+)
CID 23182615
sodium [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury
CID 175845123
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
CID 25199594
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
2-[2-(dimethylamino)-2-oxoethoxy]-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447084
2-(4-aminobenzoyl)oxyethyl-diethylazanium;[3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-(2-methoxyethoxy)propyl]mercury(1+);hydrate
CID 23182614
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)?
The IUPAC name of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) (CID 6455484) is [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+).
What is the SMILES notation for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)?
The canonical SMILES for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) is COC(C[Hg+])CNC(=O)c1ccccc1OCC(=O)O.
What is the InChIKey of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)?
The InChIKey is VTCIJZPATSUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO5.Hg/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.
What are the key properties of [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+)?
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) has a molecular weight of 466.86 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) is sourced from PubChem (CID 6455484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).