About tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride
tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride (PubChem CID 167658925) has the molecular formula C24H43ClN4O9
and a molecular weight of 567.08 g/mol. Its IUPAC name is tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride.
Molecular Properties
| Compound Name | tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride |
|---|
| PubChem CID | 167658925 |
|---|
| Molecular Formula | C24H43ClN4O9 |
|---|
| Molecular Weight | 567.08 g/mol |
|---|
| Exact Mass | 566.27 |
|---|
| IUPAC Name | tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride |
|---|
| SMILES | CC(C)(C)OC(=O)CCN.Cl.O=C(O)CCNC(=O)CN1CCCCC1=O.O=C(O)CN1CCCCC1=O |
|---|
| InChI | InChI=1S/C10H16N2O4.C7H11NO3.C7H15NO2.ClH/c13-8(11-5-4-10(15)16)7-12-6-2-1-3-9(12)14;9-6-3-1-2-4-8(6)5-7(10)11;1-7(2,3)10-6(9)4-5-8;/h1-7H2,(H,11,13)(H,15,16);1-5H2,(H,10,11);4-5,8H2,1-3H3;1H |
|---|
| InChIKey | FFPPSCQRPMMWGT-UHFFFAOYSA-N |
|---|
| XLogP | 0.77 |
|---|
| TPSA | 196.64 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 567.08 |
| LogP ≤ 5 | 0.77 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride 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 tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride?
The IUPAC name of tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride (CID 167658925) is tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride is CC(C)(C)OC(=O)CCN.Cl.O=C(O)CCNC(=O)CN1CCCCC1=O.O=C(O)CN1CCCCC1=O.
What is the InChIKey of tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride?
The InChIKey is FFPPSCQRPMMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.C7H11NO3.C7H15NO2.ClH/c13-8(11-5-4-10(15)16)7-12-6-2-1-3-9(12)14;9-6-3-1-2-4-8(6)5-7(10)11;1-7(2,3)10-6(9)4-5-8;/h1-7H2,(H,11,13)(H,15,16);1-5H2,(H,10,11);4-5,8H2,1-3H3;1H.
What are the key properties of tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride?
tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride has a molecular weight of 567.08 g/mol, XLogP of 0.77, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopropanoate;2-(2-oxopiperidin-1-yl)acetic acid;3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 167658925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).