ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate

C15H19NO5 — CID 67937297

IUPACethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate
SMILESCCOC(=O)c1ccc(N2CCC(=O)C2)c(OC)c1OC
InChIInChI=1S/C15H19NO5/c1-4-21-15(18)11-5-6-12(14(20-3)13(11)19-2)16-8-7-10(17)9-16/h5-6H,4,7-9H2,1-3H3
InChIKeyAUYCXBTZVJKMAK-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.66
Rot. Bonds5

About ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate

ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate (PubChem CID 67937297) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate
PubChem CID67937297
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate
SMILESCCOC(=O)c1ccc(N2CCC(=O)C2)c(OC)c1OC
InChIInChI=1S/C15H19NO5/c1-4-21-15(18)11-5-6-12(14(20-3)13(11)19-2)16-8-7-10(17)9-16/h5-6H,4,7-9H2,1-3H3
InChIKeyAUYCXBTZVJKMAK-UHFFFAOYSA-N
XLogP1.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-methyl-4-(3-oxopyrrolidin-1-yl)benzoate
CID 67937108
ethyl 2,6-dibromo-4-(3-oxopyrrolidin-1-yl)benzoate
CID 67937271
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-2-oxoacetate
CID 117412342
ethyl 2-amino-3-(5-oxo-1,4-diazepan-1-yl)benzoate
CID 115546025
ethyl 5-amino-2-(4-methoxypiperidin-1-yl)benzoate
CID 61305515
ethyl 2-oxo-6-[(2,3,4-trimethoxybenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27912503
ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethane;ethyl 4-bromo-3-methoxy-2-methylbenzoate
CID 144722957
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
CID 57185180

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate (CID 67937297) is ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate is CCOC(=O)c1ccc(N2CCC(=O)C2)c(OC)c1OC.
What is the InChIKey of ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate?
The InChIKey is AUYCXBTZVJKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-21-15(18)11-5-6-12(14(20-3)13(11)19-2)16-8-7-10(17)9-16/h5-6H,4,7-9H2,1-3H3.
What are the key properties of ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate?
ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate has a molecular weight of 293.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethoxy-4-(3-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 67937297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).