methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate

C19H25FN2O3 — CID 133116264

IUPACmethyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)NC2CCCC2)[C@@H](c2ccccc2F)N1C
InChIInChI=1S/C19H25FN2O3/c1-22-16(19(24)25-2)11-14(18(23)21-12-7-3-4-8-12)17(22)13-9-5-6-10-15(13)20/h5-6,9-10,12,14,16-17H,3-4,7-8,11H2,1-2H3,(H,21,23)/t14-,16-,17-/m1/s1
InChIKeyCDUBWQWQHDWXCT-DJIMGWMZSA-N
MW348.42 g/mol
LogP2.42
Rot. Bonds4

About methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate

methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate (PubChem CID 133116264) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate
PubChem CID133116264
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Namemethyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)NC2CCCC2)[C@@H](c2ccccc2F)N1C
InChIInChI=1S/C19H25FN2O3/c1-22-16(19(24)25-2)11-14(18(23)21-12-7-3-4-8-12)17(22)13-9-5-6-10-15(13)20/h5-6,9-10,12,14,16-17H,3-4,7-8,11H2,1-2H3,(H,21,23)/t14-,16-,17-/m1/s1
InChIKeyCDUBWQWQHDWXCT-DJIMGWMZSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-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

methyl (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate
CID 25375376
methyl (2S,4S,5R)-5-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylcarbamoyl]-1-methylpyrrolidine-2-carboxylate
CID 25454006
methyl (2S,4S,5R)-4-[ethyl(2-methylprop-2-enyl)carbamoyl]-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate
CID 42528177
(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
methyl (2S,4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylate
CID 25289201
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
methyl 1-[2-(2-fluorophenyl)cyclopropanecarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56807396
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051142
N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147662
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate (CID 133116264) is methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate is COC(=O)[C@H]1C[C@@H](C(=O)NC2CCCC2)[C@@H](c2ccccc2F)N1C.
What is the InChIKey of methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is CDUBWQWQHDWXCT-DJIMGWMZSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-22-16(19(24)25-2)11-14(18(23)21-12-7-3-4-8-12)17(22)13-9-5-6-10-15(13)20/h5-6,9-10,12,14,16-17H,3-4,7-8,11H2,1-2H3,(H,21,23)/t14-,16-,17-/m1/s1.
What are the key properties of methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate?
methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R,5S)-4-(cyclopentylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 133116264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).