Methyl-seleno-l-cysteine

C4H8NOSSe — CID 87595123

IUPAC—
SMILESCN[C@@H](CS)C(=O)[Se]
InChIInChI=1S/C4H8NOSSe/c1-5-3(2-7)4(6)8/h3,5,7H,2H2,1H3/t3-/m0/s1
InChIKeyYSHOUBPYOHRCKR-VKHMYHEASA-N
MW197.14 g/mol
LogP-0.80
Rot. Bonds3

About Methyl-seleno-l-cysteine

Methyl-seleno-l-cysteine (PubChem CID 87595123) has the molecular formula C4H8NOSSe and a molecular weight of 197.14 g/mol.

Molecular Properties

Compound NameMethyl-seleno-l-cysteine
PubChem CID87595123
Molecular FormulaC4H8NOSSe
Molecular Weight197.14 g/mol
Exact Mass197.95
IUPAC Name—
SMILESCN[C@@H](CS)C(=O)[Se]
InChIInChI=1S/C4H8NOSSe/c1-5-3(2-7)4(6)8/h3,5,7H,2H2,1H3/t3-/m0/s1
InChIKeyYSHOUBPYOHRCKR-VKHMYHEASA-N
XLogP-0.80
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Methyl-seleno-l-cysteine?
The IUPAC name of Methyl-seleno-l-cysteine (CID 87595123) is not available.
What is the SMILES notation for Methyl-seleno-l-cysteine?
The canonical SMILES for Methyl-seleno-l-cysteine is CN[C@@H](CS)C(=O)[Se].
What is the InChIKey of Methyl-seleno-l-cysteine?
The InChIKey is YSHOUBPYOHRCKR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8NOSSe/c1-5-3(2-7)4(6)8/h3,5,7H,2H2,1H3/t3-/m0/s1.
What are the key properties of Methyl-seleno-l-cysteine?
Methyl-seleno-l-cysteine has a molecular weight of 197.14 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl-seleno-l-cysteine is sourced from PubChem (CID 87595123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).