About (2S)-2-amino-N-(2-oxoethyl)propanamide
(2S)-2-amino-N-(2-oxoethyl)propanamide (PubChem CID 18642412) has the molecular formula C5H10N2O2
and a molecular weight of 130.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxoethyl)propanamide.
Molecular Properties
| Compound Name | (2S)-2-amino-N-(2-oxoethyl)propanamide |
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| PubChem CID | 18642412 |
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| Molecular Formula | C5H10N2O2 |
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| Molecular Weight | 130.15 g/mol |
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| Exact Mass | 130.07 |
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| IUPAC Name | (2S)-2-amino-N-(2-oxoethyl)propanamide |
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| SMILES | C[C@H](N)C(=O)NCC=O |
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| InChI | InChI=1S/C5H10N2O2/c1-4(6)5(9)7-2-3-8/h3-4H,2,6H2,1H3,(H,7,9)/t4-/m0/s1 |
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| InChIKey | YDGRBJGFXGBXQC-BYPYZUCNSA-N |
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| XLogP | -1.35 |
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| TPSA | 72.19 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 130.15 |
| LogP ≤ 5 | -1.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2S)-2-amino-N-(2-oxoethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-oxoethyl)propanamide (CID 18642412) is (2S)-2-amino-N-(2-oxoethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxoethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxoethyl)propanamide is C[C@H](N)C(=O)NCC=O.
What is the InChIKey of (2S)-2-amino-N-(2-oxoethyl)propanamide?
The InChIKey is YDGRBJGFXGBXQC-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(6)5(9)7-2-3-8/h3-4H,2,6H2,1H3,(H,7,9)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxoethyl)propanamide?
(2S)-2-amino-N-(2-oxoethyl)propanamide has a molecular weight of 130.15 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-oxoethyl)propanamide is sourced from PubChem (CID 18642412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).