(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury

C6H9HgN3O2 — CID 174719517

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.[Hg]
InChIInChI=1S/C6H9N3O2.Hg/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/t5-;/m0./s1
InChIKeyLMDKYAFPWJOMNR-JEDNCBNOSA-N
MW355.75 g/mol
LogP-0.64
Rot. Bonds3

About (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury

(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury (PubChem CID 174719517) has the molecular formula C6H9HgN3O2 and a molecular weight of 355.75 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
PubChem CID174719517
Molecular FormulaC6H9HgN3O2
Molecular Weight355.75 g/mol
Exact Mass357.04
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)O.[Hg]
InChIInChI=1S/C6H9N3O2.Hg/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/t5-;/m0./s1
InChIKeyLMDKYAFPWJOMNR-JEDNCBNOSA-N
XLogP-0.64
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydron;chloride;hydrate
CID 74764184
2-amino-3-(1H-imidazol-5-yl)propanamide;2-amino-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury (CID 174719517) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury is N[C@@H](Cc1cnc[nH]1)C(=O)O.[Hg].
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury?
The InChIKey is LMDKYAFPWJOMNR-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9N3O2.Hg/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury?
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury has a molecular weight of 355.75 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury is sourced from PubChem (CID 174719517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).