(2R)-2-azaniumyl-3-selanylpropanoate

C3H7NO2Se — CID 163189568

IUPAC(2R)-2-azaniumyl-3-selanylpropanoate
SMILES[NH3+][C@@H](C[SeH])C(=O)[O-]
InChIInChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyZKZBPNGNEQAJSX-REOHCLBHSA-N
MW168.05 g/mol
LogP-3.33
Rot. Bonds2

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

(2R)-2-azaniumyl-3-selanylpropanoate (PubChem CID 163189568) has the molecular formula C3H7NO2Se and a molecular weight of 168.05 g/mol. Its IUPAC name is (2R)-2-azaniumyl-3-selanylpropanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-3-selanylpropanoate
PubChem CID163189568
Molecular FormulaC3H7NO2Se
Molecular Weight168.05 g/mol
Exact Mass168.96
IUPAC Name(2R)-2-azaniumyl-3-selanylpropanoate
SMILES[NH3+][C@@H](C[SeH])C(=O)[O-]
InChIInChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyZKZBPNGNEQAJSX-REOHCLBHSA-N
XLogP-3.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 5-3.33
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-selanylpropanoate?
The IUPAC name of (2R)-2-azaniumyl-3-selanylpropanoate (CID 163189568) is (2R)-2-azaniumyl-3-selanylpropanoate.
What is the SMILES notation for (2R)-2-azaniumyl-3-selanylpropanoate?
The canonical SMILES for (2R)-2-azaniumyl-3-selanylpropanoate is [NH3+][C@@H](C[SeH])C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-3-selanylpropanoate?
The InChIKey is ZKZBPNGNEQAJSX-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of (2R)-2-azaniumyl-3-selanylpropanoate?
(2R)-2-azaniumyl-3-selanylpropanoate has a molecular weight of 168.05 g/mol, XLogP of -3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-3-selanylpropanoate is sourced from PubChem (CID 163189568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).