methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate

C10H15NO4 — CID 602407

IUPACmethyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H15NO4/c1-10(2)6(4-5-7(12)15-3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQZPVRZGCMDTHON-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.24
Rot. Bonds3

About methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate

methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate (PubChem CID 602407) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate
PubChem CID602407
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate
SMILESCOC(=O)CCC1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H15NO4/c1-10(2)6(4-5-7(12)15-3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQZPVRZGCMDTHON-UHFFFAOYSA-N
XLogP0.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
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-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate (CID 602407) is methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate is COC(=O)CCC1C(=O)NC(=O)C1(C)C.
What is the InChIKey of methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate?
The InChIKey is QZPVRZGCMDTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2)6(4-5-7(12)15-3)8(13)11-9(10)14/h6H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate?
methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate has a molecular weight of 213.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,4-dimethyl-2,5-dioxopyrrolidin-3-yl)propanoate is sourced from PubChem (CID 602407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).