[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury

C9H15HgN2O5 — CID 8527

IUPAC[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury
SMILESCOC(C[Hg])CNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H15N2O5.Hg/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);
InChIKeyQHWYMOJSBVSFRV-UHFFFAOYSA-N
MW431.82 g/mol
LogP-0.34
Rot. Bonds7

About [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury

[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury (PubChem CID 8527) has the molecular formula C9H15HgN2O5 and a molecular weight of 431.82 g/mol. Its IUPAC name is [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury.

Molecular Properties

Compound Name[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury
PubChem CID8527
Molecular FormulaC9H15HgN2O5
Molecular Weight431.82 g/mol
Exact Mass433.07
IUPAC Name[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury
SMILESCOC(C[Hg])CNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H15N2O5.Hg/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);
InChIKeyQHWYMOJSBVSFRV-UHFFFAOYSA-N
XLogP-0.34
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury?
The IUPAC name of [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury (CID 8527) is [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury.
What is the SMILES notation for [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury?
The canonical SMILES for [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury is COC(C[Hg])CNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury?
The InChIKey is QHWYMOJSBVSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O5.Hg/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);.
What are the key properties of [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury?
[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury has a molecular weight of 431.82 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury is sourced from PubChem (CID 8527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).