methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate

C12H17NO6 — CID 597324

IUPACmethyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)CCC1C(=O)NC(=O)C1(C)CC(=O)OC
InChIInChI=1S/C12H17NO6/c1-12(6-9(15)19-3)7(4-5-8(14)18-2)10(16)13-11(12)17/h7H,4-6H2,1-3H3,(H,13,16,17)
InChIKeyAKTGBFYTELDKQP-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.22
Rot. Bonds5

About methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate

methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate (PubChem CID 597324) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate
PubChem CID597324
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Namemethyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)CCC1C(=O)NC(=O)C1(C)CC(=O)OC
InChIInChI=1S/C12H17NO6/c1-12(6-9(15)19-3)7(4-5-8(14)18-2)10(16)13-11(12)17/h7H,4-6H2,1-3H3,(H,13,16,17)
InChIKeyAKTGBFYTELDKQP-UHFFFAOYSA-N
XLogP-0.22
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate?
The IUPAC name of methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate (CID 597324) is methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate is COC(=O)CCC1C(=O)NC(=O)C1(C)CC(=O)OC.
What is the InChIKey of methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate?
The InChIKey is AKTGBFYTELDKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-12(6-9(15)19-3)7(4-5-8(14)18-2)10(16)13-11(12)17/h7H,4-6H2,1-3H3,(H,13,16,17).
What are the key properties of methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate?
methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate has a molecular weight of 271.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxy-2-oxoethyl)-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 597324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).