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

C11H17NO5 — CID 20614729

IUPACmethyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CC(=O)OC)CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-16-9(14)4-6-11(7-10(15)17-2)5-3-8(13)12-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyLDLVCTKMBKLKJQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.15
Rot. Bonds5

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

methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 20614729) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
PubChem CID20614729
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namemethyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CC(=O)OC)CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-16-9(14)4-6-11(7-10(15)17-2)5-3-8(13)12-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyLDLVCTKMBKLKJQ-UHFFFAOYSA-N
XLogP0.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methyl-5-oxopyrrolidin-2-yl)propanoic acid
CID 13011452
2,2-Pyrrolidinedipropanoic acid, 5-oxo-, dimethyl ester
CID 11253889
Methyl 5-oxo-2-(trifluoromethyl)-2-pyrrolidinepropionate
CID 15288970
Methyl 2-(3-hydroxypropyl)-5-oxo-2-pyrrolidinepropanoate
CID 588463
3,3'-(5-Oxopyrrolidine-2,2-diyl)dipropanoic acid
CID 13306702
Diethyl 3,3'-(5-oxopyrrolidine-2,2-diyl)dipropanoate
CID 13306703
5-Oxo-2,2-pyrrolidinedipropanoic acid monomethyl ester
CID 13646943
Methyl 3-(2-methyl-5-oxo-2-pyrrolidinyl)propanoate
CID 14433785
Tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate
CID 15256254
Methyl 2-[1-(hexanoylamino)-4-oxocyclohexyl]acetate
CID 18340787
Methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
CID 20614727
Methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
CID 20614728

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate (CID 20614729) is methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate is COC(=O)CCC1(CC(=O)OC)CCC(=O)N1.
What is the InChIKey of methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is LDLVCTKMBKLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-16-9(14)4-6-11(7-10(15)17-2)5-3-8(13)12-11/h3-7H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 243.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 20614729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).