Seleno-(DL)-cysteine

C3H6NO2Se — CID 6326972

IUPAC—
SMILESNC(C[Se])C(=O)O
InChIInChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)
InChIKeyFDKWRPBBCBCIGA-UHFFFAOYSA-N
MW167.05 g/mol
LogP-1.01
Rot. Bonds2

About Seleno-(DL)-cysteine

Seleno-(DL)-cysteine (PubChem CID 6326972) has the molecular formula C3H6NO2Se and a molecular weight of 167.05 g/mol.

Molecular Properties

Compound NameSeleno-(DL)-cysteine
PubChem CID6326972
Molecular FormulaC3H6NO2Se
Molecular Weight167.05 g/mol
Exact Mass167.96
IUPAC Name—
SMILESNC(C[Se])C(=O)O
InChIInChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)
InChIKeyFDKWRPBBCBCIGA-UHFFFAOYSA-N
XLogP-1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Seleno-(DL)-cysteine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Seleno-(DL)-cysteine?
The IUPAC name of Seleno-(DL)-cysteine (CID 6326972) is not available.
What is the SMILES notation for Seleno-(DL)-cysteine?
The canonical SMILES for Seleno-(DL)-cysteine is NC(C[Se])C(=O)O.
What is the InChIKey of Seleno-(DL)-cysteine?
The InChIKey is FDKWRPBBCBCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6).
What are the key properties of Seleno-(DL)-cysteine?
Seleno-(DL)-cysteine has a molecular weight of 167.05 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Seleno-(DL)-cysteine is sourced from PubChem (CID 6326972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).