CID 137098625

C6H8N3O2Se — CID 137098625

IUPAC—
SMILESN[C@@H](Cc1cnc([Se])[nH]1)C(=O)O
InChIInChI=1S/C6H8N3O2Se/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyHCGDJGVVPUWENM-BYPYZUCNSA-N
MW233.11 g/mol
LogP-1.84
Rot. Bonds3

About CID 137098625

CID 137098625 (PubChem CID 137098625) has the molecular formula C6H8N3O2Se and a molecular weight of 233.11 g/mol.

Molecular Properties

Compound NameCID 137098625
PubChem CID137098625
Molecular FormulaC6H8N3O2Se
Molecular Weight233.11 g/mol
Exact Mass233.98
IUPAC Name—
SMILESN[C@@H](Cc1cnc([Se])[nH]1)C(=O)O
InChIInChI=1S/C6H8N3O2Se/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyHCGDJGVVPUWENM-BYPYZUCNSA-N
XLogP-1.84
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 5-1.84
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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(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
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2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
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Frequently Asked Questions

What is the IUPAC name of CID 137098625?
The IUPAC name of CID 137098625 (CID 137098625) is not available.
What is the SMILES notation for CID 137098625?
The canonical SMILES for CID 137098625 is N[C@@H](Cc1cnc([Se])[nH]1)C(=O)O.
What is the InChIKey of CID 137098625?
The InChIKey is HCGDJGVVPUWENM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N3O2Se/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1.
What are the key properties of CID 137098625?
CID 137098625 has a molecular weight of 233.11 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137098625 is sourced from PubChem (CID 137098625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).