methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate

C12H19NO5 — CID 11253889

IUPACmethyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)CCC(=O)N1
InChIInChI=1S/C12H19NO5/c1-17-10(15)4-7-12(6-3-9(14)13-12)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyVMVQYQKRJFKYCS-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.54
Rot. Bonds6

About methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate

methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 11253889) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
PubChem CID11253889
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)CCC(=O)N1
InChIInChI=1S/C12H19NO5/c1-17-10(15)4-7-12(6-3-9(14)13-12)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyVMVQYQKRJFKYCS-UHFFFAOYSA-N
XLogP0.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate (CID 11253889) is methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate is COC(=O)CCC1(CCC(=O)OC)CCC(=O)N1.
What is the InChIKey of methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is VMVQYQKRJFKYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-17-10(15)4-7-12(6-3-9(14)13-12)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate?
methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 257.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 11253889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).