methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate

C16H20F2N2O3 — CID 71971972

IUPACmethyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C16H20F2N2O3/c1-10(16(22)23-3)9-19(2)13-7-8-20(15(13)21)14-11(17)5-4-6-12(14)18/h4-6,10,13H,7-9H2,1-3H3
InChIKeyDGDOMHAGXOHTKQ-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.81
Rot. Bonds5

About methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate

methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate (PubChem CID 71971972) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate
PubChem CID71971972
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Namemethyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C16H20F2N2O3/c1-10(16(22)23-3)9-19(2)13-7-8-20(15(13)21)14-11(17)5-4-6-12(14)18/h4-6,10,13H,7-9H2,1-3H3
InChIKeyDGDOMHAGXOHTKQ-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate 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

methyl (2S)-3-[[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate
CID 129421825
(3R)-1-(2,6-difluorophenyl)-3-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]pyrrolidin-2-one
CID 97009592
(3R)-1-(2,6-difluorophenyl)-3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrrolidin-2-one
CID 97054621
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814096
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 97159507
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119814077
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate (CID 71971972) is methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C1CCN(c2c(F)cccc2F)C1=O.
What is the InChIKey of methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate?
The InChIKey is DGDOMHAGXOHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-10(16(22)23-3)9-19(2)13-7-8-20(15(13)21)14-11(17)5-4-6-12(14)18/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate?
methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate has a molecular weight of 326.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 71971972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).