methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C16H20N2O5 — CID 108805610

IUPACmethyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOCCN1CC(C(=O)Nc2cccc(C(=O)OC)c2)CC1=O
InChIInChI=1S/C16H20N2O5/c1-22-7-6-18-10-12(9-14(18)19)15(20)17-13-5-3-4-11(8-13)16(21)23-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyXDAZGKOZIODRIF-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.91
Rot. Bonds6

About methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 108805610) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID108805610
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOCCN1CC(C(=O)Nc2cccc(C(=O)OC)c2)CC1=O
InChIInChI=1S/C16H20N2O5/c1-22-7-6-18-10-12(9-14(18)19)15(20)17-13-5-3-4-11(8-13)16(21)23-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyXDAZGKOZIODRIF-UHFFFAOYSA-N
XLogP0.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182587
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 108793757
(3S)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143242
(3R)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143241
methyl 3-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940747
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51881813
methyl 3-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113185952
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108741159
N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805559
methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
CID 108746329

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 108805610) is methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COCCN1CC(C(=O)Nc2cccc(C(=O)OC)c2)CC1=O.
What is the InChIKey of methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is XDAZGKOZIODRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-7-6-18-10-12(9-14(18)19)15(20)17-13-5-3-4-11(8-13)16(21)23-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,17,20).
What are the key properties of methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 320.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 108805610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).