About but-3-en-2-yl 2-(methylamino)acetate
but-3-en-2-yl 2-(methylamino)acetate (PubChem CID 153041185) has the molecular formula C7H13NO2
and a molecular weight of 143.19 g/mol. Its IUPAC name is but-3-en-2-yl 2-(methylamino)acetate.
Molecular Properties
| Compound Name | but-3-en-2-yl 2-(methylamino)acetate |
|---|
| PubChem CID | 153041185 |
|---|
| Molecular Formula | C7H13NO2 |
|---|
| Molecular Weight | 143.19 g/mol |
|---|
| Exact Mass | 143.09 |
|---|
| IUPAC Name | but-3-en-2-yl 2-(methylamino)acetate |
|---|
| SMILES | C=CC(C)OC(=O)CNC |
|---|
| InChI | InChI=1S/C7H13NO2/c1-4-6(2)10-7(9)5-8-3/h4,6,8H,1,5H2,2-3H3 |
|---|
| InChIKey | VFSIUSQGOWZGHP-UHFFFAOYSA-N |
|---|
| XLogP | 0.32 |
|---|
| TPSA | 38.33 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 143.19 |
| LogP ≤ 5 | 0.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze but-3-en-2-yl 2-(methylamino)acetate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of but-3-en-2-yl 2-(methylamino)acetate?
The IUPAC name of but-3-en-2-yl 2-(methylamino)acetate (CID 153041185) is but-3-en-2-yl 2-(methylamino)acetate.
What is the SMILES notation for but-3-en-2-yl 2-(methylamino)acetate?
The canonical SMILES for but-3-en-2-yl 2-(methylamino)acetate is C=CC(C)OC(=O)CNC.
What is the InChIKey of but-3-en-2-yl 2-(methylamino)acetate?
The InChIKey is VFSIUSQGOWZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(2)10-7(9)5-8-3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of but-3-en-2-yl 2-(methylamino)acetate?
but-3-en-2-yl 2-(methylamino)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-(methylamino)acetate is sourced from PubChem (CID 153041185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).