About N-(2-amino-2-oxoethyl)pentanamide
N-(2-amino-2-oxoethyl)pentanamide (PubChem CID 12878232) has the molecular formula C7H14N2O2
and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)pentanamide.
Molecular Properties
| Compound Name | N-(2-amino-2-oxoethyl)pentanamide |
| PubChem CID | 12878232 |
| Molecular Formula | C7H14N2O2 |
| Molecular Weight | 158.20 g/mol |
| Exact Mass | 158.11 |
| IUPAC Name | N-(2-amino-2-oxoethyl)pentanamide |
| SMILES | CCCCC(=O)NCC(N)=O |
| InChI | InChI=1S/C7H14N2O2/c1-2-3-4-7(11)9-5-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11) |
| InChIKey | ZHSSDGWFOWDBQR-UHFFFAOYSA-N |
| XLogP | -0.22 |
| TPSA | 72.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 158.20 |
| LogP ≤ 5 | -0.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-amino-2-oxoethyl)pentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)pentanamide (CID 12878232) is N-(2-amino-2-oxoethyl)pentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)pentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)pentanamide is CCCCC(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)pentanamide?
The InChIKey is ZHSSDGWFOWDBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-7(11)9-5-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethyl)pentanamide?
N-(2-amino-2-oxoethyl)pentanamide has a molecular weight of 158.20 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)pentanamide is sourced from PubChem (CID 12878232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).