methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate

C10H15NO4 — CID 79506636

IUPACmethyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H15NO4/c1-7-5-8(12)11(9(13)6-7)4-3-10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyBLNXBWFEMAIBTE-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.33
Rot. Bonds3

About methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate

methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate (PubChem CID 79506636) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
PubChem CID79506636
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CC(C)CC1=O
InChIInChI=1S/C10H15NO4/c1-7-5-8(12)11(9(13)6-7)4-3-10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyBLNXBWFEMAIBTE-UHFFFAOYSA-N
XLogP0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate (CID 79506636) is methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate is COC(=O)CCN1C(=O)CC(C)CC1=O.
What is the InChIKey of methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate?
The InChIKey is BLNXBWFEMAIBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7-5-8(12)11(9(13)6-7)4-3-10(14)15-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate?
methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate has a molecular weight of 213.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate is sourced from PubChem (CID 79506636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).