azane;ethyl 2-hydroxypropanoate;phenylmercury

C11H18HgNO3 — CID 174333864

IUPACazane;ethyl 2-hydroxypropanoate;phenylmercury
SMILESCCOC(=O)C(C)O.N.[Hg]c1ccccc1
InChIInChI=1S/C6H5.C5H10O3.Hg.H3N/c1-2-4-6-5-3-1;1-3-8-5(7)4(2)6;;/h1-5H;4,6H,3H2,1-2H3;;1H3
InChIKeySTAZZYBCYREOHC-UHFFFAOYSA-N
MW412.86 g/mol
LogP0.95
Rot. Bonds2

About azane;ethyl 2-hydroxypropanoate;phenylmercury

azane;ethyl 2-hydroxypropanoate;phenylmercury (PubChem CID 174333864) has the molecular formula C11H18HgNO3 and a molecular weight of 412.86 g/mol. Its IUPAC name is azane;ethyl 2-hydroxypropanoate;phenylmercury.

Molecular Properties

Compound Nameazane;ethyl 2-hydroxypropanoate;phenylmercury
PubChem CID174333864
Molecular FormulaC11H18HgNO3
Molecular Weight412.86 g/mol
Exact Mass414.10
IUPAC Nameazane;ethyl 2-hydroxypropanoate;phenylmercury
SMILESCCOC(=O)C(C)O.N.[Hg]c1ccccc1
InChIInChI=1S/C6H5.C5H10O3.Hg.H3N/c1-2-4-6-5-3-1;1-3-8-5(7)4(2)6;;/h1-5H;4,6H,3H2,1-2H3;;1H3
InChIKeySTAZZYBCYREOHC-UHFFFAOYSA-N
XLogP0.95
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;ethyl 2-hydroxypropanoate;phenylmercury with MolForge

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

Launch Full Analysis

Related Compounds

2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
CID 174297430
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
diethyl benzene-1,2-dicarboxylate;tetradecyl 2-hydroxypropanoate
CID 139331739
ethyl 2-hydroxypropanoate;2-methoxyphenol;2-phenylethyl acetate
CID 159722272
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-hydroxypropanoate;phenylmercury?
The IUPAC name of azane;ethyl 2-hydroxypropanoate;phenylmercury (CID 174333864) is azane;ethyl 2-hydroxypropanoate;phenylmercury.
What is the SMILES notation for azane;ethyl 2-hydroxypropanoate;phenylmercury?
The canonical SMILES for azane;ethyl 2-hydroxypropanoate;phenylmercury is CCOC(=O)C(C)O.N.[Hg]c1ccccc1.
What is the InChIKey of azane;ethyl 2-hydroxypropanoate;phenylmercury?
The InChIKey is STAZZYBCYREOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H10O3.Hg.H3N/c1-2-4-6-5-3-1;1-3-8-5(7)4(2)6;;/h1-5H;4,6H,3H2,1-2H3;;1H3.
What are the key properties of azane;ethyl 2-hydroxypropanoate;phenylmercury?
azane;ethyl 2-hydroxypropanoate;phenylmercury has a molecular weight of 412.86 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-hydroxypropanoate;phenylmercury is sourced from PubChem (CID 174333864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).