methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate

C12H19NO5 — CID 20614728

IUPACmethyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CC(=O)OC)CCC(=O)N1C
InChIInChI=1S/C12H19NO5/c1-13-9(14)4-6-12(13,8-11(16)18-3)7-5-10(15)17-2/h4-8H2,1-3H3
InChIKeyVTFRIDIMOCNSKV-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.49
Rot. Bonds5

About methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate

methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 20614728) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
PubChem CID20614728
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CC(=O)OC)CCC(=O)N1C
InChIInChI=1S/C12H19NO5/c1-13-9(14)4-6-12(13,8-11(16)18-3)7-5-10(15)17-2/h4-8H2,1-3H3
InChIKeyVTFRIDIMOCNSKV-UHFFFAOYSA-N
XLogP0.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-Pyrrolidinedipropanoic acid, 5-oxo-, dimethyl ester
CID 11253889
1-O-tert-butyl 3-O-methyl 5,5-diethyl-3-fluoropyrrolidine-1,3-dicarboxylate
CID 176385856
5-(Tert-butyl) 7-methyl 7-fluoro-5-azaspiro[3.4]octane-5,7-dicarboxylate
CID 176385901
Dimethyl 2-(1-methoxycarbonylpyrrolidin-2-yl)butanedioate
CID 11219528
Tert-butyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 85374092
Methyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102021667
3-[2-(3-Methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
CID 20614644
3-[2-(2-Methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
CID 20614645
Methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
CID 20614727
Methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
CID 20614729
5-Carboethoxyethyl-5-carboethoxymethyl-2-pyrrolidinone
CID 54116216
Methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate
CID 54491033

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate (CID 20614728) is methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate is COC(=O)CCC1(CC(=O)OC)CCC(=O)N1C.
What is the InChIKey of methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is VTFRIDIMOCNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-13-9(14)4-6-12(13,8-11(16)18-3)7-5-10(15)17-2/h4-8H2,1-3H3.
What are the key properties of methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 257.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 20614728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).