2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury

C11H19HgN2O3 — CID 174297430

IUPAC2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
SMILESCC(O)C(=O)OCCN.N.[Hg]c1ccccc1
InChIInChI=1S/C6H5.C5H11NO3.Hg.H3N/c1-2-4-6-5-3-1;1-4(7)5(8)9-3-2-6;;/h1-5H;4,7H,2-3,6H2,1H3;;1H3
InChIKeyGMRTXSZPVGEBAN-UHFFFAOYSA-N
MW427.87 g/mol
LogP-0.11
Rot. Bonds3

About 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury

2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury (PubChem CID 174297430) has the molecular formula C11H19HgN2O3 and a molecular weight of 427.87 g/mol. Its IUPAC name is 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury.

Molecular Properties

Compound Name2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
PubChem CID174297430
Molecular FormulaC11H19HgN2O3
Molecular Weight427.87 g/mol
Exact Mass429.11
IUPAC Name2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
SMILESCC(O)C(=O)OCCN.N.[Hg]c1ccccc1
InChIInChI=1S/C6H5.C5H11NO3.Hg.H3N/c1-2-4-6-5-3-1;1-4(7)5(8)9-3-2-6;;/h1-5H;4,7H,2-3,6H2,1H3;;1H3
InChIKeyGMRTXSZPVGEBAN-UHFFFAOYSA-N
XLogP-0.11
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;ethyl 2-hydroxypropanoate;phenylmercury
CID 174333864
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
phenylmercury;urea
CID 70460318
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury
CID 172865217
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
4-(2-aminoethoxy)-3,3-dimethyl-4-oxo-2-(1-phenylethyl)butanoic acid
CID 155483536
diethyl benzene-1,2-dicarboxylate;tetradecyl 2-hydroxypropanoate
CID 139331739
2-hydroxypropanoyl 2-amino-3-phenylpropaneperoxoate;hydrochloride
CID 141457481
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-aminoethyl 2,3-diaminobutanoate
CID 123886394

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury?
The IUPAC name of 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury (CID 174297430) is 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury.
What is the SMILES notation for 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury?
The canonical SMILES for 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury is CC(O)C(=O)OCCN.N.[Hg]c1ccccc1.
What is the InChIKey of 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury?
The InChIKey is GMRTXSZPVGEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H11NO3.Hg.H3N/c1-2-4-6-5-3-1;1-4(7)5(8)9-3-2-6;;/h1-5H;4,7H,2-3,6H2,1H3;;1H3.
What are the key properties of 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury?
2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury has a molecular weight of 427.87 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury is sourced from PubChem (CID 174297430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).