[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide

C6H13HgN3O4 — CID 10453081

IUPAC[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide
SMILESCOC(C[Hg+])CNC(=O)NC(N)=O.[OH-]
InChIInChI=1S/C6H12N3O3.Hg.H2O/c1-4(12-2)3-8-6(11)9-5(7)10;;/h4H,1,3H2,2H3,(H4,7,8,9,10,11);;1H2/q;+1;/p-1
InChIKeyBVKZAKBPKOVXSE-UHFFFAOYSA-M
MW391.78 g/mol
LogP-0.83
Rot. Bonds4

About [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide

[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide (PubChem CID 10453081) has the molecular formula C6H13HgN3O4 and a molecular weight of 391.78 g/mol. Its IUPAC name is [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide.

Molecular Properties

Compound Name[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide
PubChem CID10453081
Molecular FormulaC6H13HgN3O4
Molecular Weight391.78 g/mol
Exact Mass393.06
IUPAC Name[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide
SMILESCOC(C[Hg+])CNC(=O)NC(N)=O.[OH-]
InChIInChI=1S/C6H12N3O3.Hg.H2O/c1-4(12-2)3-8-6(11)9-5(7)10;;/h4H,1,3H2,2H3,(H4,7,8,9,10,11);;1H2/q;+1;/p-1
InChIKeyBVKZAKBPKOVXSE-UHFFFAOYSA-M
XLogP-0.83
TPSA123.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chlormerodrin
CID 25210
[3-(Carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
CID 6110
CID 2716
CID 2716
Chlormerodrin Hg-197
CID 91667977
Chlormerodrin Hg-203
CID 193986
N-(2-Methoxypropyl)urea
CID 3037764
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
CID 91667978
Chlormerodrin mercury-203
CID 165411821
[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197
CID 11954348
[(2S)-3-(carbamoylamino)-2-methoxypropyl]-chloromercury
CID 57422078
1-(2-Methoxypropyl)-3-methylurea
CID 58758816
3-(2-Methoxypropyl)-1-methyl-1-sulfanylurea
CID 88804438

Frequently Asked Questions

What is the IUPAC name of [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide?
The IUPAC name of [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide (CID 10453081) is [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide.
What is the SMILES notation for [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide?
The canonical SMILES for [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide is COC(C[Hg+])CNC(=O)NC(N)=O.[OH-].
What is the InChIKey of [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide?
The InChIKey is BVKZAKBPKOVXSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N3O3.Hg.H2O/c1-4(12-2)3-8-6(11)9-5(7)10;;/h4H,1,3H2,2H3,(H4,7,8,9,10,11);;1H2/q;+1;/p-1.
What are the key properties of [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide?
[3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide has a molecular weight of 391.78 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbamoylcarbamoylamino)-2-methoxypropyl]mercury(1+) hydroxide is sourced from PubChem (CID 10453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).