About N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 83193505) has the molecular formula C10H16N2O3
and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| PubChem CID | 83193505 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.25 g/mol |
| Exact Mass | 212.12 |
| IUPAC Name | N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| SMILES | O=C1CC(C(=O)NCC2CC(O)C2)CN1 |
| InChI | InChI=1S/C10H16N2O3/c13-8-1-6(2-8)4-12-10(15)7-3-9(14)11-5-7/h6-8,13H,1-5H2,(H,11,14)(H,12,15) |
| InChIKey | RDUYGNOGHDUCRZ-UHFFFAOYSA-N |
| XLogP | -0.99 |
| TPSA | 78.43 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.25 |
| LogP ≤ 5 | -0.99 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 83193505) is N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC2CC(O)C2)CN1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RDUYGNOGHDUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-8-1-6(2-8)4-12-10(15)7-3-9(14)11-5-7/h6-8,13H,1-5H2,(H,11,14)(H,12,15).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83193505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).