About (2R)-2-amino-3-selanylpropanoic acid
(2R)-2-amino-3-selanylpropanoic acid (PubChem CID 25076) has the molecular formula C3H7NO2Se
and a molecular weight of 168.05 g/mol. Its IUPAC name is (2R)-2-amino-3-selanylpropanoic acid.
Molecular Properties
| Compound Name | (2R)-2-amino-3-selanylpropanoic acid |
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| PubChem CID | 25076 |
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| Molecular Formula | C3H7NO2Se |
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| Molecular Weight | 168.05 g/mol |
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| Exact Mass | 168.96 |
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| IUPAC Name | (2R)-2-amino-3-selanylpropanoic acid |
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| SMILES | N[C@@H](C[SeH])C(=O)O |
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| InChI | InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 |
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| InChIKey | ZKZBPNGNEQAJSX-REOHCLBHSA-N |
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| XLogP | -1.28 |
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| TPSA | 63.32 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 168.05 |
| LogP ≤ 5 | -1.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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-amino-3-selanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-selanylpropanoic acid (CID 25076) is (2R)-2-amino-3-selanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-selanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-selanylpropanoic acid is N[C@@H](C[SeH])C(=O)O.
What is the InChIKey of (2R)-2-amino-3-selanylpropanoic acid?
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-amino-3-selanylpropanoic acid?
(2R)-2-amino-3-selanylpropanoic acid has a molecular weight of 168.05 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-selanylpropanoic acid is sourced from PubChem (CID 25076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).