ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate

C16H20N2O5 — CID 17309359

IUPACethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H20N2O5/c1-3-23-15(20)9-17-16(21)11-8-14(19)18(10-11)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyQHAXYKBEJQXZFT-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.73
Rot. Bonds6

About ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate

ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate (PubChem CID 17309359) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
PubChem CID17309359
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H20N2O5/c1-3-23-15(20)9-17-16(21)11-8-14(19)18(10-11)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)
InChIKeyQHAXYKBEJQXZFT-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate 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

(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 39342192
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate (CID 17309359) is ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is QHAXYKBEJQXZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-23-15(20)9-17-16(21)11-8-14(19)18(10-11)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,17,21).
What are the key properties of ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate?
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 320.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 17309359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).