methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate

C17H21ClN2O4 — CID 134033372

IUPACmethyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN2O4/c1-19(9-5-8-16(22)24-2)17(23)12-10-15(21)20(11-12)14-7-4-3-6-13(14)18/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyKULCYIAALFVGDW-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.10
Rot. Bonds6

About methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate

methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate (PubChem CID 134033372) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
PubChem CID134033372
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Namemethyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN2O4/c1-19(9-5-8-16(22)24-2)17(23)12-10-15(21)20(11-12)14-7-4-3-6-13(14)18/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyKULCYIAALFVGDW-UHFFFAOYSA-N
XLogP2.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate 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

N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233129
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
3-[[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 129353558
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119232628
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 119823179
1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
CID 55654265
methyl 3-[benzyl-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55582309
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate (CID 134033372) is methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate is COC(=O)CCCN(C)C(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate?
The InChIKey is KULCYIAALFVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-19(9-5-8-16(22)24-2)17(23)12-10-15(21)20(11-12)14-7-4-3-6-13(14)18/h3-4,6-7,12H,5,8-11H2,1-2H3.
What are the key properties of methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate?
methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate has a molecular weight of 352.82 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]butanoate is sourced from PubChem (CID 134033372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).