methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate

C13H15NO5 — CID 117053316

IUPACmethyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCNC2=O)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-17-11-7-8(13(16)18-2)3-4-9(11)19-10-5-6-14-12(10)15/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)
InChIKeyMITMUSYJPJEQFH-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.75
Rot. Bonds4

About methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate

methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate (PubChem CID 117053316) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
PubChem CID117053316
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2CCNC2=O)c(OC)c1
InChIInChI=1S/C13H15NO5/c1-17-11-7-8(13(16)18-2)3-4-9(11)19-10-5-6-14-12(10)15/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)
InChIKeyMITMUSYJPJEQFH-UHFFFAOYSA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 117053782
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323
ethane;methyl 4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzoate
CID 144796424
ethane;methyl 4-(3-fluorocyclobutyl)oxy-3-methoxybenzoate
CID 144795480
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate?
The IUPAC name of methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate (CID 117053316) is methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate.
What is the SMILES notation for methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate?
The canonical SMILES for methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate is COC(=O)c1ccc(OC2CCNC2=O)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate?
The InChIKey is MITMUSYJPJEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-11-7-8(13(16)18-2)3-4-9(11)19-10-5-6-14-12(10)15/h3-4,7,10H,5-6H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate?
methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate has a molecular weight of 265.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate is sourced from PubChem (CID 117053316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).