methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate

C18H20FN3O3 — CID 97159507

IUPACmethyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1
InChIInChI=1S/C18H20FN3O3/c1-21(11-12-9-14(20-10-12)18(24)25-2)16-7-8-22(17(16)23)15-6-4-3-5-13(15)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeySOCQUQBMVCXGIK-INIZCTEOSA-N
MW345.37 g/mol
LogP2.18
Rot. Bonds5

About methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate

methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate (PubChem CID 97159507) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
PubChem CID97159507
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Namemethyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1
InChIInChI=1S/C18H20FN3O3/c1-21(11-12-9-14(20-10-12)18(24)25-2)16-7-8-22(17(16)23)15-6-4-3-5-13(15)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3/t16-/m0/s1
InChIKeySOCQUQBMVCXGIK-INIZCTEOSA-N
XLogP2.18
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate 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

5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 139015673
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623626
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124619263
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 119037327

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate (CID 97159507) is methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c[nH]1.
What is the InChIKey of methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate?
The InChIKey is SOCQUQBMVCXGIK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-21(11-12-9-14(20-10-12)18(24)25-2)16-7-8-22(17(16)23)15-6-4-3-5-13(15)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate?
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 97159507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).