(2R)-2-azaniumyl-3-methylselanylpropanoate

C4H9NO2Se — CID 45266674

IUPAC(2R)-2-azaniumyl-3-methylselanylpropanoate
SMILESC[Se]C[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyXDSSPSLGNGIIHP-VKHMYHEASA-N
MW182.08 g/mol
LogP-2.48
Rot. Bonds3

About (2R)-2-azaniumyl-3-methylselanylpropanoate

(2R)-2-azaniumyl-3-methylselanylpropanoate (PubChem CID 45266674) has the molecular formula C4H9NO2Se and a molecular weight of 182.08 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-methylselanylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-methylselanylpropanoate
PubChem CID45266674
Molecular FormulaC4H9NO2Se
Molecular Weight182.08 g/mol
Exact Mass182.98
IUPAC Name(2R)-2-azaniumyl-3-methylselanylpropanoate
SMILESC[Se]C[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyXDSSPSLGNGIIHP-VKHMYHEASA-N
XLogP-2.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-3-methylselanylpropanoate?
The IUPAC name of (2R)-2-azaniumyl-3-methylselanylpropanoate (CID 45266674) is (2R)-2-azaniumyl-3-methylselanylpropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-methylselanylpropanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-methylselanylpropanoate is C[Se]C[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-methylselanylpropanoate?
The InChIKey is XDSSPSLGNGIIHP-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-azaniumyl-3-methylselanylpropanoate?
(2R)-2-azaniumyl-3-methylselanylpropanoate has a molecular weight of 182.08 g/mol, XLogP of -2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-methylselanylpropanoate is sourced from PubChem (CID 45266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).