allyl-selenocysteine

C6H10NO2Se — CID 87280558

IUPAC—
SMILESC=CCN[C@@H](C[Se])C(=O)O
InChIInChI=1S/C6H10NO2Se/c1-2-3-7-5(4-10)6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyLZLPRBCGHLAHBQ-YFKPBYRVSA-N
MW207.11 g/mol
LogP-0.20
Rot. Bonds5

About allyl-selenocysteine

allyl-selenocysteine (PubChem CID 87280558) has the molecular formula C6H10NO2Se and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound Nameallyl-selenocysteine
PubChem CID87280558
Molecular FormulaC6H10NO2Se
Molecular Weight207.11 g/mol
Exact Mass207.99
IUPAC Name—
SMILESC=CCN[C@@H](C[Se])C(=O)O
InChIInChI=1S/C6H10NO2Se/c1-2-3-7-5(4-10)6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyLZLPRBCGHLAHBQ-YFKPBYRVSA-N
XLogP-0.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of allyl-selenocysteine?
The IUPAC name of allyl-selenocysteine (CID 87280558) is not available.
What is the SMILES notation for allyl-selenocysteine?
The canonical SMILES for allyl-selenocysteine is C=CCN[C@@H](C[Se])C(=O)O.
What is the InChIKey of allyl-selenocysteine?
The InChIKey is LZLPRBCGHLAHBQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10NO2Se/c1-2-3-7-5(4-10)6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of allyl-selenocysteine?
allyl-selenocysteine has a molecular weight of 207.11 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for allyl-selenocysteine is sourced from PubChem (CID 87280558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).